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Dharmendra Kumar Yadav

Gachon University, College of PharmacyIN
ORCID0000-0003-1102-1993
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36

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Citations
4,968

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Publications
183

About

Dr. Dharmendra Kumar Yadav has completed his Ph.D. in Biological Science from CSIR-Central Institute of Medicinal and Aromatic Plants, Lucknow, India, Postdoctoral studies from Hanyang University Korea, and the University of Delhi, India. Presently, he is working as Assistant Professor and Principal Investigator of the NRF project (Korea) in the College of Pharmacy at Gachon University, Korea. Before working in Gachon University he was Principal Scientist and Arontier-Artificial Intelligence in Precision Medicine Seoul, Korea. He has been the recipient Young Scientist award from the SERB, Science, and Engineering Research Board, New Delhi. He worked as a Young Scientist at the All India Institute of Medical Science in Jodhpur, India. He has published more than 190 research articles in reputed journals, 03 Book Chapters, and Patent. He is continuing his research in atomic-level molecular simulation of Plasma Medicine, Computer-Aided Drug Design, Molecular Modelling and, Molecular Dynamics Simulation of Biological networks, etc. He is also a member of several scientific societies and academic bodies.

Research areas

  • Chemistry
  • Medicine
  • Biology
  • Pharmacology
  • Biochemistry

Publications (183)

Sorted by most cited.

  1. In Silico Exploration of Anti-Inflammatory Activity of Natural Coumarinolignoids

    Chemical Biology and Drug Design1970journal article

    View DOI
    36 cites

  2. In silico investigations of natural-product tethered 1,4-naphthoquinones as inhibitors of Staphylococcus aureus

    Biochemical and Biophysical Research Communications2025journal article

    View DOI
    1 cites

  3. Docking and QSAR Studies of Camptothecin Derivatives as Inhibitor of DNA Topoisomerase-I

    2011

    View DOI
    1 cites

  4. PROTACs in food science: A new frontier for precision protein degradation in safety, nutrition, and sustainable processing

    Applied Food Research2026journal article

    View DOI
    0 cites

  5. Precision Oncology: Emerging Molecular Methods for Drug Target Discovery

    Current Topics in Medicinal Chemistry2026journal article

    View DOI
    0 cites

  6. Phytochemicals and REDOX Modulation: Molecular Mechanisms, Clinical Relevance, and Therapeutic Perspectives

    Antioxidants2026journal article

    View DOI
    0 cites

  7. Next-Generation Antioxidants in Cardiovascular Disease: Mechanistic Insights and Emerging Therapeutic Strategies

    Antioxidants2026journal article

    View DOI
    0 cites

  8. Structure‐Guided Identification and Evaluation of Epalrestat and Ranirestat‐Like Compounds Against Aldose Reductase: Therapeutic Management of Diabetic Neuropathy

    ChemistryOpen2025journal article

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    0 cites

  9. Unveiling Promising PARP12 Inhibitors through Virtual Screening for Cancer Therapy

    Current Pharmaceutical Design2025journal article

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    0 cites

  10. Antioxidant Natural Compounds Integrated with Targeted Protein Degradation: A Multi-Modal Strategy for Alzheimer’s Disease Therapy

    Antioxidants2025journal article

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    0 cites

  11. Circular RNA-based liquid biopsy: a promising approach for monitoring drug resistance in cancer

    Cancer Drug Resistance2025journal article

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    0 cites

  12. Targeting the CXCR4/CXCL12 Axis to Overcome Drug Resistance in Triple-Negative Breast Cancer

    Cells2025journal article

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    0 cites

  13. Unveiling the therapeutic role of penfluridol and BMS-754,807: NUDT5 inhibition in breast cancer

    Chemical Physics Impact2025journal article

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    0 cites

  14. Design, Synthesis, and Simulation of Functionalized 1,2,3,4‐Tetrahydroisoquinolines to Treat Acute Leukemia Cells

    ChemistrySelect2025journal article

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    0 cites

  15. Identifying Donepezil‐Like Compounds Against Acetylcholinesterase Using Molecular Docking, Dynamic Simulation, ADMET, and PCA: Therapeutic Management of Alzheimer’s Disease

    Journal of Chemistry2025journal article

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    0 cites

  16. Design, Synthesis and Computational Insight of Isolated and Thiophene fused 2H‐Pyran‐2‐ones as PPAR‐γ Agonist

    ChemistrySelect2024journal article

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    0 cites

  17. Gut microbiota-centered risk factors and altered immunometabolism in the pathogenesis and prophylaxis of Clostridium difficile infection

    Journal of King Saud University - Science2024journal article

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    0 cites

  18. Chemo-/regio-selective ultrasound-assisted synthesis of new spirooxindole-pyrrolidines/spirooxindole-pyrrolizines: Synthesis, antimicrobial and antitubercular activities, SAR and in silico studies

    Journal of Molecular Structure2024journal article

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    0 cites

  19. Structure-based drug-development study against fibroblast growth factor receptor 2: molecular docking and Molecular dynamics simulation approaches

    Scientific Reports2024journal article

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    0 cites

  20. Cucumis melo compounds: A new avenue for ALR-2 inhibition in diabetes mellitus

    Heliyon2024journal article

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    0 cites

  21. Orientia tsutsugamushi: An Unusual Intracellular Bacteria—Adaptation Strategies, Available Antibiotics, and Alternatives for Treatment

    Current Microbiology2024journal article

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    0 cites

  22. Structure-based identification of potential inhibitors of ribosomal protein S6 kinase 1, targeting cancer therapy: a combined docking and molecular dynamics simulations approach

    Journal of Biomolecular Structure and Dynamics2024journal article

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    0 cites

  23. Computational Screening of Repurposed Drugs for HMG-CoA Synthase 2 in Alzheimer’s Disease

    Journal of Alzheimer's Disease2024journal article

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    0 cites

  24. Computational and spectroscopic insight into the binding of citral with human transferrin: Targeting neurodegenerative diseases

    Heliyon2024journal article

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    0 cites

  25. Structure-based screening of FDA-approved drugs identifies potential histone deacetylase 3 repurposed inhibitor: molecular docking and molecular dynamic simulation approaches

    Frontiers in Pharmacology2024journal article

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    0 cites

  26. Identification and evaluation of putative type 2 diabetes mellitus inhibitors derived from Cichorium intybus

    Journal of Molecular Structure2024journal article

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    0 cites

  27. Identifying potential inhibitors of phosphatidylinositol 4,5-bisphosphate 3-kinase: Molecular dynamic insights into the interaction and inhibitory mechanism

    Chemical Physics Impact2024journal article

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    0 cites

  28. Understanding the interactions between repurposed drugs sertindole and temoporfin with receptor for advanced glycation endproducts: Therapeutic implications in cancer and metabolic diseases

    Journal of Molecular Modeling2024journal article

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    0 cites

  29. Identifying Phosphodiesterase‐5 Inhibitors with Drug Repurposing Approach: Implications in Vasodysfunctional Disorders

    ChemistryOpen2024journal article

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    0 cites

  30. An integrated docking and molecular dynamics simulation approach to discover potential inhibitors of activin receptor‐like kinase 1

    Journal of Molecular Recognition2024journal article

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    0 cites

  31. Exploring the promising potential of noscapine for cancer and neurodegenerative disease therapy through inhibition of integrin-linked kinase-1

    International Journal of Biological Macromolecules2024journal article

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    0 cites

  32. Identifying repurposed drugs as potential inhibitors of Apolipoprotein E: A bioinformatics approach to target complex diseases associated with lipid metabolism and neurodegeneration

    International Journal of Biological Macromolecules2024journal article

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    0 cites

  33. In vitro and Ex vivo study targeting the development of a Lavandula stoechas L. (Ustukhuddūs) loaded Unani Transdermal patch: Implication of Unani Medicine in the treatment of Nisyan (Dementia)

    Heliyon2024journal article

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    0 cites

  34. Targeting PDE4A for therapeutic potential: exploiting drug repurposing approach through virtual screening and molecular dynamics

    Journal of Biomolecular Structure and Dynamics2024journal article

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    0 cites

  35. Identification of <scp>mitogen‐activated</scp> protein kinase 7 inhibitors from natural products: Combined virtual screening and dynamic simulation studies

    Journal of Molecular Recognition2024journal article

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    0 cites

  36. Integrated virtual screening and MD simulation study to discover potential inhibitors of Lyn-kinase: targeting cancer therapy

    Journal of Biomolecular Structure and Dynamics2023journal article

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    0 cites

  37. Experimental and Computational Insights into the Molecular Interactions between Human Transferrin and Apigenin: Implications of Natural Compounds in Targeting Neuroinflammation

    ACS Omega2023journal article

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    0 cites

  38. Comprehensive insight into the molecular interaction of rutin with human transferrin: Implication of natural compounds in neurodegenerative diseases

    International Journal of Biological Macromolecules2023journal article

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    0 cites

  39. Experimental and computational investigation of the binding mechanism of thymol with human transferrin: Importance of dietary phytochemicals in Alzheimer’s disease therapeutics

    Journal of Molecular Liquids2023journal article

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    0 cites

  40. Artemisinin-inspired novel functionalized aryloxy-arylvinyl-1,2,4-trioxanes as potent anticancer agents: Design, synthesis, bioevaluation, SAR and in silico studies

    Journal of Molecular Structure2023journal article

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    0 cites

  41. Clinical Significance of MicroRNAs, Long Non-Coding RNAs, and CircRNAs in Cardiovascular Diseases

    Cells2023journal article

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    0 cites

  42. Recent Clinical Advances on Long Non-Coding RNAs in Triple-Negative Breast Cancer

    Cells2023journal article

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    0 cites

  43. Assessing the Protein-Ligand Interaction and Thermally Induced Quality Changes in Tomato-Based Pineapple Beverage

    Beverages2023journal article

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    0 cites

  44. RAGE Inhibitors for Targeted Therapy of Cancer: A Comprehensive Review

    International Journal of Molecular Sciences2022journal article

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    0 cites

  45. Clinical updates on tyrosine kinase inhibitors in HER2-positive breast cancer.

    Frontiers in pharmacology2022journal article

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    0 cites

  46. Review of Developments in Combating COVID-19 by Vaccines, Inhibitors, Radiations, and Nonthermal Plasma

    Current Issues in Molecular Biology2022journal article

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    0 cites

  47. Development of Dementia in Type 2 Diabetes Patients: Mechanisms of Insulin Resistance and Antidiabetic Drug Development

    Cells2022journal article

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    0 cites

  48. Frankincense oil-loaded nanoemulsion formulation of paclitaxel and erucin: A synergistic combination for ameliorating drug resistance in breast cancer: <i>In vitro</i> and <i>in vivo</i> study.

    Frontiers in pharmacology2022journal article

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    0 cites

  49. Biomedical and Antioxidant Potentialities in Chilli: Perspectives and Way Forward

    Molecules2022journal article

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    0 cites

  50. <i>In vitro</i> elucidation of antioxidant, antiproliferative, and apoptotic potential of yeast-derived β-1,3-glucan particles against cervical cancer cells.

    Frontiers in oncology2022journal article

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    0 cites

  51. Identification of PARP12 Inhibitors By Virtual Screening and Molecular Dynamics Simulations.

    Frontiers in pharmacology2022journal article

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    0 cites

  52. Computational analysis of PTP-1B site-directed mutations and their structural binding to potential inhibitors.

    Cellular and molecular biology (Noisy-le-Grand, France)2022journal article

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    0 cites

  53. <i>In Vitro</i> Evaluation of Antioxidant, Anticancer, and Anti-Inflammatory Activities of Ethanolic Leaf Extract of <i>Adenium obesum</i>.

    Frontiers in pharmacology2022journal article

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    0 cites

  54. Discovering Tuberosin and Villosol as Potent and Selective Inhibitors of AKT1 for Therapeutic Targeting of Oral Squamous Cell Carcinoma.

    Journal of personalized medicine2022journal article

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    0 cites

  55. Corrigendum: SARS-CoV-2: Emergence of New Variants and Effectiveness of Vaccines.

    Frontiers in cellular and infection microbiology2022journal article

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    0 cites

  56. Bioactive Phytoconstituents as Potent Inhibitors of Tyrosine-Protein Kinase Yes (YES1): Implications in Anticancer Therapeutics

    Molecules2022journal article

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    0 cites

  57. Comparative analysis of web-based programs for single amino acid substitutions in proteins.

    PloS one2022journal article

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    0 cites

  58. Investigation of antidiabetic properties of shikonin by targeting aldose reductase enzyme: In silico and in vitro studies.

    Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie2022journal article

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    0 cites

  59. Therapeutic implications and clinical manifestations of thymoquinone.

    Phytochemistry2022journal article

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    0 cites

  60. Inhibition of MARK4 by serotonin as an attractive therapeutic approach to combat Alzheimer's disease and neuroinflammation.

    RSC medicinal chemistry2022journal article

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    0 cites

  61. Biomedical features and therapeutic potential of rosmarinic acid.

    Archives of pharmacal research2022journal article

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    0 cites

  62. Cadmium-Tolerant Plant Growth-Promoting Bacteria Curtobacterium oceanosedimentum Improves Growth Attributes and Strengthens Antioxidant System in Chili (Capsicum frutescens)

    Sustainability2022journal article

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    0 cites

  63. Elucidating the Interactions of Fluoxetine with Human Transferrin Employing Spectroscopic, Calorimetric, and In Silico Approaches: Implications of a Potent Alzheimer’s Drug

    ACS Omega2022journal article

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    0 cites

  64. Bioactive phytoconstituents as potent inhibitors of casein kinase-2: dual implications in cancer and COVID-19 therapeutics.

    RSC advances2022journal article

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    0 cites

  65. Biological Evaluation in Resistant Cancer Cells and Study of Mechanism of Action of Arylvinyl-1,2,4-Trioxanes

    Pharmaceuticals2022journal article

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    0 cites

  66. Insights into the Antibacterial Activity of Prolactin-Inducible Protein against the Standard and Environmental MDR Bacterial Strains

    Microorganisms2022journal article

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    0 cites

  67. Identification of intrinsically disorder regions in non-structural proteins of SARS-CoV-2: New insights into drug and vaccine resistance.

    Molecular and cellular biochemistry2022journal article

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    0 cites

  68. SARS-CoV-2: Recent Variants and Clinical Efficacy of Antibody-Based Therapy.

    Frontiers in cellular and infection microbiology2022journal article

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    0 cites

  69. Effect of pH on the structure and function of cyclin-dependent kinase 6

    PLOS ONE2022journal article

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    0 cites

  70. Differential gene expression and network analysis in head and neck squamous cell carcinoma.

    Molecular and cellular biochemistry2022journal article

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    0 cites

  71. Epigallocatechin 3-gallate: From green tea to cancer therapeutics.

    Food chemistry2022journal article

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    0 cites

  72. Mechanistic Insight into Binding of Huperzine A with Human Serum Albumin: Computational and Spectroscopic Approaches

    Molecules2022journal article

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    0 cites

  73. Antiviral Effects of Artemisinin and Its Derivatives against SARS-CoV-2 Main Protease: Computational Evidences and Interactions with ACE2 Allelic Variants

    Pharmaceuticals2022journal article

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    0 cites

  74. Discovery of Natural Product Inspired 3-Phenyl-1H-isochromen-1-ones as Highly Potent Antioxidant and Antiplatelet Agents: Design, Synthesis, Biological Evaluation, SAR and In Silico Studies.

    Current pharmaceutical design2022journal article

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    0 cites

  75. Recent Advances in Small Molecule Medicinal Chemistry to Treat Human Diseases: Part V.

    Current topics in medicinal chemistry2022journal article

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    0 cites

  76. Investigating host-virus interaction mechanism and phylogenetic analysis of viral proteins involved in the pathogenesis

    PLOS ONE2021journal article

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    0 cites

  77. SARS-CoV-2: Emergence of New Variants and Effectiveness of Vaccines.

    Frontiers in cellular and infection microbiology2021journal article

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    0 cites

  78. Drug Resistance Reversal Potential of Nanoparticles/Nanocomposites via Antibiotic&rsquo;s Potentiation in Multi Drug Resistant <i>P. aeruginosa</i>

    Nanomaterials2021journal article

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    0 cites

  79. Identification of Phytoconstituents as Potent Inhibitors of Casein Kinase-1 Alpha Using Virtual Screening and Molecular Dynamics Simulations

    Pharmaceutics2021journal article

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    0 cites

  80. Topical Insights Into the Post-Approval Controversies of Aducanumab.

    Frontiers in pharmacology2021journal article

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    0 cites

  81. Therapeutic Potential of Ursolic Acid in Cancer and Diabetic Neuropathy Diseases

    International Journal of Molecular Sciences2021journal article

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    0 cites

  82. Current Potential Therapeutic Approaches against SARS-CoV-2: A Review

    Biomedicines2021journal article

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    0 cites

  83. Mechanistic insights into the role of serum-glucocorticoid kinase 1 in diabetic nephropathy: A systematic review.

    International journal of biological macromolecules2021journal article

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    0 cites

  84. Investigating single amino acid substitutions in PIM1 kinase: A structural genomics approach

    PLOS ONE2021journal article

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    0 cites

  85. Genomic Variations in the Structural Proteins of SARS-CoV-2 and Their Deleterious Impact on Pathogenesis: A Comparative Genomics Approach.

    Frontiers in cellular and infection microbiology2021journal article

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    0 cites

  86. Role of PARP in TNBC: Mechanism of Inhibition, Clinical Applications, and Resistance

    Biomedicines2021journal article

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    0 cites

  87. MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer’s Disease

    International Journal of Molecular Sciences2021journal article

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  88. Recent Advances on Small Molecule Medicinal Chemistry to Treat Human Diseases-Part III.

    Current topics in medicinal chemistry2021journal article

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  89. Exploring the role of epidermal growth factor receptor variant III in meningeal tumors.

    PloS one2021journal article

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  90. B Cell Lymphoma 2: A Potential Therapeutic Target for Cancer Therapy

    International Journal of Molecular Sciences2021journal article

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  91. In silico identification of prolyl hydroxylase inhibitor by per‐residue energy decomposition‐based pharmacophore approach

    Journal of Cellular Biochemistry2021journal article

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  92. Drug resistance reversal potential of multifunctional thieno[3,2-c]pyran via potentiation of antibiotics in MDR P. aeruginosa.

    Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie2021journal article

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  93. Novel halogenated arylvinyl-1,2,4 trioxanes as potent antiplasmodial as well as anticancer agents: Synthesis, bioevaluation, structure-activity relationship and in-silico studies.

    European journal of medicinal chemistry2021journal article

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  94. TNBC: Potential Targeting of Multiple Receptors for a Therapeutic Breakthrough, Nanomedicine, and Immunotherapy

    Biomedicines2021journal article

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  95. CRISPR/Cas9 based genome editing for targeted transcriptional control in triple-negative breast cancer.

    Computational and structural biotechnology journal2021journal article

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  96. Atomic-scale modeling of the effect of lipid peroxidation on the permeability of reactive species

    Journal of Biomolecular Structure and Dynamics2021journal article

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  97. Electric-field-induced electroporation and permeation of reactive oxygen species across a skin membrane

    Journal of Biomolecular Structure and Dynamics2021journal article

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  98. Breast Cancer Transcriptional Regulatory Network Reprogramming by using the CRISPR/Cas9 System: An Oncogenetics Perspective.

    Current topics in medicinal chemistry2021journal article

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  99. Potential Therapeutic Relevance of CRISPR/Cas9 Guided Epigenetic Regulations for Neuropsychiatric Disorders.

    Current topics in medicinal chemistry2021journal article

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  100. Potential Therapeutic Strategies of Phytochemicals in Neurodegenerative Disorders.

    Current topics in medicinal chemistry2021journal article

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  101. Recent Advances on Small Molecule Medicinal Chemistry to Treat Human Diseases - Part IV.

    Current topics in medicinal chemistry2021journal article

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  102. Recent Advances on Small Molecule Medicinal Chemistry to Treat Human Diseases-Part II.

    Current topics in medicinal chemistry2021journal article

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  103. Recent Advances on Small Molecule Medicinal Chemistry to Treat Human Diseases.

    Current topics in medicinal chemistry2021journal article

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    0 cites

  104. Role of Extracellular Vesicles in Glioma Progression: Deciphering Cellular Biological Processes to Clinical Applications.

    Current topics in medicinal chemistry2021journal article

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  105. The Bioactive Potential of Culturable Fungal Endophytes Isolated From the Leaf of Catharanthus roseus (L.) G. Don.

    Current topics in medicinal chemistry2021journal article

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  106. Immunopathology, host-virus genome interactions, and effective vaccine development in SARS-CoV-2.

    Computational and structural biotechnology journal2020journal article

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  107. Recent Advances in Pathophysiology, Drug Development and Future Perspectives of SARS-CoV-2.

    Frontiers in cell and developmental biology2020journal article

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  108. Inactivation of Infectious Bacteria Using Nonthermal Biocompatible Plasma Cabinet Sterilizer

    International Journal of Molecular Sciences2020journal article

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  109. Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening Study

    Frontiers in Chemistry2020journal article

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  110. Cold atmospheric plasma generated reactive species aided inhibitory effects on human melanoma cells: an in vitro and in silico study

    Scientific Reports2020journal article

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  111. Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening and Molecular Dynamic Simulation Study

    2019working paper

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  112. Microwave-assisted One-pot Efficient Synthesis of Functionalized 2-Oxo-2-phenylethylidenes-linked 2-Oxobenzo[1,4]oxazines and 2-Oxoquino[1,4]oxalines: Synthetic Applications, Antioxidant Activity, SAR and Cytotoxic Studies.

    Acta chimica Slovenica2017journal article

    0 cites

  113. Microwave-assisted one-pot efficient synthesis of functionalized 2-oxo-2-phenylethylidenes-linked 2-oxo-benzo[1,4]oxazines and 2-oxo-quino[1,4]oxalines: Synthetic Applications, Antioxidant activity, SAR and Cytotoxic Studies

    Acta Chimica Slovenica2017journal article

    0 cites

  114. Molecular dynamics simulations and ADME studies of benzopyran class of selective COX-2 inhibitors for inflammatory activity

    Joint Event on 9th International Conference and Expo on Proteomics and Molecular Medicine & 9th International Conference on Bioinformatics November 13-15, 2017 Paris, France2017conference abstract

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  115. Molecular modeling based semi-synthesis and in vitro evaluation of anticancer activity in indolyl chalcones.

    2015journal article

    0 cites

  116. QSAR studies on Withanolide analogs for anticancer activity

    2011

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  117. Discovery of thieno[3,2-c]pyran-based leads for liver, lung and glioma cancer: synthesis, docking-guided optimization and apoptotic profiling

    RSC Advances1970journal article

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  118. Distinctive roles of aquaporins and novel therapeutic opportunities against cancer

    RSC Medicinal Chemistry1970journal article

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  119. The stereo-divergent functionalization of alkynes: a comprehensive review

    RSC Advances1970journal article

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  120. Identification of High-Affinity Inhibitors of TANK-Binding Kinase 1 (TBK1): A Promising Frontier for Controlling Inflammatory Signaling in Cancer

    Discovery Medicine1970journal article

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  121. Systematic computational strategies for identifying protein targets and lead discovery

    RSC Medicinal Chemistry1970journal article

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  122. Synthesis, Bioevaluation, Structure-Activity Relationship and Docking Studies of Natural Product Inspired (Z)-3-benzylideneisobenzofuran-1(3H)-ones as Highly Potent antioxidants and Antiplatelet agents

    Scientific Reports1970journal article

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    0 cites

  123. In silico identification of hydantoin derivatives: a novel natural prolyl hydroxylase inhibitor

    Journal of Biomolecular Structure and Dynamics1970journal article

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    0 cites

  124. Ligand-based pharmacophore modeling and docking studies on vitamin D receptor inhibitors

    Journal of Cellular Biochemistry1970journal article

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  125. Molecular dynamic simulations of oxidized skin lipid bilayer and permeability of reactive oxygen species

    Scientific Reports1970journal article

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  126. Anti-cancer effect of GV1001 for prostate cancer: Function as a ligand of GnRHR

    Endocrine-Related Cancer1970journal article

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  127. Comparative drug resistance reversal potential of natural glycosides: Potential of synergy Niaziridin &amp; Niazirin

    Current Topics in Medicinal Chemistry1970journal article

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  128. Molecular targets for Malarial chemotherapy: A review

    Current Topics in Medicinal Chemistry1970journal article

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  129. Recent developments in natural product inspired synthetic 1,2,4-trioxolanes (Ozonides): An unusual entry into antimalarial chemotherapy

    Current Topics in Medicinal Chemistry1970journal article

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  130. Identification of novel acetylcholinesterase inhibitors designed by pharmacophore-based virtual screening, molecular docking and bioassay

    Scientific Reports1970journal article

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  131. Insight from Molecular dynamic simulation of reactive oxygen species in oxidized skin membrane

    Scientific Reports1970journal article

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  132. Molecular Insights into the Interaction of RONS and Thieno[3,2-c]pyran Analogs with SIRT6/COX-2: A Molecular Dynamics Study

    Scientific Reports1970journal article

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  133. Non-peptide-based new class of platelet aggregation inhibitors: Design, synthesis, bioevaluation, SAR, and in silico studies

    Archiv der Pharmazie1970journal article

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  134. Synergy of clavine alkaloid ‘chanoclavine’ with tetracycline against multi-drug-resistant E. coli

    Journal of Biomolecular Structure and Dynamics1970journal article

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  135. Discovery of Aporphine Analogues as Potential Antiplatelet and Antioxidant Agents: Design, Synthesis, Structure–Activity Relationships, Biological Evaluations, and in silico Molecular Docking Studies

    ChemMedChem1970journal article

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  136. Discovery of C-3 tethered 2-oxo-benzo[1,4]oxazines as potent antioxidants: Bio-inspired based design, synthesis, biological evaluation, cytotoxic, and in silico molecular docking studies

    Frontiers in Chemistry1970journal article

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  137. Insight into the molecular dynamic simulation studies of reactive oxygen species in native skin membrane

    Frontiers in Pharmacology1970journal article

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  138. Synthesis, biological evaluation and molecular docking study of 1-amino-2-aroylnaphthalenes against prostate cancer

    Bioorganic and Medicinal Chemistry Letters1970journal article

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  139. Novel Gomisin B analogues as potential cytotoxic agents: Design, synthesis, biological evaluation and docking studies

    European Journal of Medicinal Chemistry1970journal article

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  140. Pharmacological use of a novel scaffold, anomeric N,N-diarylamino tetrahydropyran: Molecular similarity search, chemocentric target profiling, and experimental evidence

    Scientific Reports1970journal article

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  141. The JAK2 inhibitors CEP-33779 and NVP-BSK805 have high P-gp inhibitory activity and sensitize drug-resistant cancer cells to vincristine

    Biochemical and Biophysical Research Communications1970journal article

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  142. Studies of the benzopyran class of selective COX-2 inhibitors using 3D-QSAR and molecular docking

    Archives of Pharmacal Research1970journal article

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  143. Microwave-assisted one-pot efficient synthesis of functionalized 2-oxo-2-phenylethylidenes-linked 2-oxobenzo[1, 4]oxazines and 2-oxoquino[1, 4]oxalines: Synthetic applications, antioxidant activity, SAR and cytotoxic studies

    Acta Chimica Slovenica1970journal article

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    0 cites

  144. Molecular docking, QSAR and ADMET studies of withanolide analogs against breast cancer

    Drug Design, Development and Therapy1970journal article

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  145. Molecular docking, QSAR and ADMET studies of withanolide analogs against breast cancer.

    Drug design, development and therapy1970journal article

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  146. The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix

    Journal of Cheminformatics1970journal article

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  147. The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix.

    Journal of cheminformatics1970journal article

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  148. New arylated benzo[h]quinolines induce anti-cancer activity by oxidative stress-mediated DNA damage

    Scientific Reports1970journal article

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  149. Software and web resources for computer-aided molecular modeling and drug discovery

    Chemometrics Applications and Research: QSAR in Medicinal Chemistry1970book chapter

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  150. Drug resistance reversal potential of ursolic acid derivatives against nalidixic acid- and multidrug-resistant Escherichia coli

    Chemical Biology and Drug Design1970journal article

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  153. In vitro antimalarial activity and molecular modeling studies of novel artemisinin derivatives

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  155. Molecular docking and biological evaluation of functionalized benzo[h]quinolines as colon cancer agents

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  158. Synthesis and evaluation of anticancer activity of novel andrographolide derivatives

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  160. Synthesis of 2-alkoxy and 2-benzyloxy analogues of estradiol as antibreast cancer agents through microtubule stabilization

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  161. 4-Hydroxy-α-tetralone and its derivative as drug resistance reversal agents in multi drug resistant Escherichia coli

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  162. Synthesis of neolignans as microtubule stabilisers

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  163. Design, synthesis and in vitro evaluation of 18β-glycyrrhetinic acid derivatives for anticancer activity against human breast cancer cell line MCF-7

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  164. Induced apoptosis in melanocytes cancer cell and oxidation in biomolecules through deuterium oxide generated from atmospheric pressure non-thermal plasma jet

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  165. QSAR and docking based semi-synthesis and in vivo evaluation of artemisinin derivatives for antimalarial activity

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  166. QSAR and docking studies on chalcone derivatives for antitubercular activity against M.tuberculosis H<inf>37</inf>Rv

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  167. QSAR guided semi-synthesis and in-vitro validation of anticancer activity in ursolic acid derivatives

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  168. QSAR and docking based semi-synthesis and in vitro evaluation of 18 β-glycyrrhetinic acid derivatives against human lung cancer cell line A-549

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  169. 3-methylcholanthrene induces neurotoxicity in developing neurons derived from human CD34+thy1+ stem cells by activation of aryl hydrocarbon receptor

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  170. Molecular docking and ADME studies of natural compounds of agarwood oil for topical anti-inflammatory activity

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  171. Pkb/akt1 mediates wnt/GSK3β/β-catenin signaling-induced apoptosis in human cord blood stem cells exposed to organophosphate pesticide monocrotophos

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  172. Identification of cytochrome P450 heme motif in plants proteome

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  173. QSAR, docking and ADMET studies of camptothecin derivatives as inhibitors of DNA topoisomerase-I

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  174. QSAR, docking and in vitro studies for anti-inflammatory activity of cleomiscosin A methyl ether derivatives

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  175. QSAR, docking and in vivo studies for immunomodulatory activity of isolated triterpenoids from Eucalyptus tereticornis and Gentiana kurroo

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  176. Pharmacophore, QSAR, and ADME based semisynthesis and in vitro evaluation of ursolic acid analogs for anticancer activity

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  177. Pharmacophore modeling, molecular docking, QSAR, and in silico ADMET studies of gallic acid derivatives for immunomodulatory activity

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  178. Synthesis and anticancer activity of 2-benzylidene indanones through inhibiting tubulin polymerization

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  179. Functional annotation of expressed sequence tags of Papaver somniferum

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  180. QSAR, docking and ADMET studies of artemisinin derivatives for antimalarial activity targeting Plasmepsin II, a hemoglobin-degrading enzyme from P. falciparum

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  181. Modern methods &amp; web resources in drug design &amp; discovery

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  182. Development of QSAR model for immunomodulatory activity of natural coumarinolignoids

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