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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
5,012

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Publications
285

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 (285)

Sorted by most cited.

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

    Food chemistry2022journal article

    View DOI
    230 cites

  2. Biomedical features and therapeutic potential of rosmarinic acid.

    Archives of pharmacal research2022journal article

    View DOI
    204 cites

  3. Influence of reactive species on the modification of biomolecules generated from the soft plasma

    Scientific Reports1970journal article

    View DOI
    123 cites

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

    Scientific Reports1970journal article

    View DOI
    113 cites

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

    Scientific Reports1970journal article

    View DOI
    112 cites

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

    Biomedicines2021journal article

    View DOI
    104 cites

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

    International Journal of Molecular Sciences2021journal article

    View DOI
    87 cites

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

    International Journal of Molecular Sciences2021journal article

    View DOI
    86 cites

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

    Drug Design, Development and Therapy1970journal article

    View DOI
    86 cites

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

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    78 cites

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

    Scientific Reports1970journal article

    View DOI
    75 cites

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

    Journal of Molecular Modeling1970journal article

    View DOI
    74 cites

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

    Scientific Reports2020journal article

    View DOI
    73 cites

  14. 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

    View DOI
    72 cites

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

    Biomedicines2021journal article

    View DOI
    70 cites

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

    Chemical Biology and Drug Design1970journal article

    View DOI
    69 cites

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

    Current Computer-Aided Drug Design1970journal article

    View DOI
    68 cites

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

    Journal of Biomolecular Structure and Dynamics1970journal article

    View DOI
    67 cites

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

    Molecules2022journal article

    View DOI
    64 cites

  20. 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

    View DOI
    64 cites

  21. Synthesis of neolignans as microtubule stabilisers

    Bioorganic and Medicinal Chemistry1970journal article

    View DOI
    64 cites

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

    Scientific Reports1970journal article

    View DOI
    63 cites

  23. 4-Hydroxy-α-tetralone and its derivative as drug resistance reversal agents in multi drug resistant Escherichia coli

    Chemical Biology and Drug Design1970journal article

    View DOI
    62 cites

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

    Bioorganic and Medicinal Chemistry1970journal article

    View DOI
    62 cites

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

    Journal of Chemometrics1970journal article

    View DOI
    54 cites

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

    Cells2023journal article

    View DOI
    52 cites

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

    Frontiers in cellular and infection microbiology2021journal article

    View DOI
    51 cites

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

    Journal of Molecular Modeling1970journal article

    View DOI
    49 cites

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

    Pharmaceutics2021journal article

    View DOI
    48 cites

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

    European Journal of Pharmaceutical Sciences1970journal article

    View DOI
    43 cites

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

    Pharmaceuticals2022journal article

    View DOI
    42 cites

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

    RSC advances2022journal article

    View DOI
    41 cites

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

    Current Medicinal Chemistry1970journal article

    View DOI
    41 cites

  34. Therapeutic implications and clinical manifestations of thymoquinone.

    Phytochemistry2022journal article

    View DOI
    39 cites

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

    Medicinal Chemistry1970journal article

    View DOI
    38 cites

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

    Chemical Biology and Drug Design1970journal article

    View DOI
    37 cites

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

    Computational and structural biotechnology journal2021journal article

    View DOI
    36 cites

  38. Potential Therapeutic Strategies of Phytochemicals in Neurodegenerative Disorders.

    Current topics in medicinal chemistry2021journal article

    View DOI
    36 cites

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

    Current Drug Targets1970journal article

    View DOI
    36 cites

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

    Cells2022journal article

    View DOI
    35 cites

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

    Sustainability2022journal article

    View DOI
    35 cites

  42. 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

    View DOI
    35 cites

  43. 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

    View DOI
    34 cites

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

    Molecules2022journal article

    View DOI
    33 cites

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

    Archives of Pharmacal Research1970journal article

    View DOI
    33 cites

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

    Journal of Chemometrics1970journal article

    View DOI
    33 cites

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

    International Journal of Molecular Sciences2022journal article

    View DOI
    31 cites

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

    Frontiers in Chemistry2020journal article

    View DOI
    31 cites

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

    Frontiers in Pharmacology1970journal article

    View DOI
    31 cites

  50. Synthesis, antitubercular activity, and molecular modeling studies of analogues of isoliquiritigenin and liquiritigenin, bioactive components from Glycyrrhiza glabra

    Medicinal Chemistry Research1970journal article

    View DOI
    31 cites

  51. 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

    View DOI
    30 cites

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

    RSC Advances1970journal article

    View DOI
    30 cites

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

    Scientific Reports2024journal article

    View DOI
    29 cites

  54. 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

    View DOI
    29 cites

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

    Journal of Cheminformatics1970journal article

    View DOI
    29 cites

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

    European Journal of Pharmaceutical Sciences1970journal article

    View DOI
    29 cites

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

    Journal of Biomolecular Structure and Dynamics2023journal article

    View DOI
    28 cites

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

    Frontiers in pharmacology2022journal article

    View DOI
    28 cites

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

    Journal of Cellular Biochemistry1970journal article

    View DOI
    28 cites

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

    Scientific Reports1970journal article

    View DOI
    28 cites

  61. Molecular modeling based synthesis and evaluation of in vitro anticancer activity of indolyl chalcones

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    28 cites

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

    Frontiers in cell and developmental biology2020journal article

    View DOI
    27 cites

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

    Molecules2022journal article

    View DOI
    26 cites

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

    Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie2022journal article

    View DOI
    26 cites

  65. 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

    View DOI
    26 cites

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

    Current topics in medicinal chemistry2021journal article

    View DOI
    26 cites

  67. Design, Synthesis, Structure‐Activity Relationship and Docking Studies of Novel Functionalized Arylvinyl‐1,2,4‐Trioxanes as Potent Antiplasmodial as well as Anticancer Agents

    2020

    View DOI
    26 cites

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

    MedChemComm1970journal article

    View DOI
    26 cites

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

    International Journal of Biological Macromolecules2023journal article

    View DOI
    25 cites

  70. <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

    View DOI
    25 cites

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

    International Journal of Molecular Sciences2020journal article

    View DOI
    25 cites

  72. Tamarixetin 3-<i>O</i>-β-<scp>d</scp>-Glucopyranoside from <i>Azadirachta indica</i> Leaves: Gastroprotective Role through Inhibition of Matrix Metalloproteinase-9 Activity in Mice

    2017

    View DOI
    25 cites

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

    Current Pharmaceutical Design1970journal article

    View DOI
    25 cites

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

    PloS one2022journal article

    View DOI
    24 cites

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

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    24 cites

  76. Evidence based molecular pathways, available drug targets, pre- clinical animal models and future disease modifying treatments of huntington’s disease

    2025

    View DOI
    23 cites

  77. Carvacrol instigates intrinsic and extrinsic apoptosis with abrogation of cell cycle progression in cervical cancer cells: Inhibition of Hedgehog/GLI signaling cascade

    2023

    View DOI
    23 cites

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

    Frontiers in pharmacology2022journal article

    View DOI
    23 cites

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

    RSC medicinal chemistry2022journal article

    View DOI
    23 cites

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

    Frontiers in cellular and infection microbiology2022journal article

    View DOI
    23 cites

  81. 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

    View DOI
    23 cites

  82. <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

    View DOI
    22 cites

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

    Stem Cells and Development1970journal article

    View DOI
    22 cites

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

    Journal of Biomolecular Structure and Dynamics2024journal article

    View DOI
    21 cites

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

    Journal of Biomolecular Structure and Dynamics2021journal article

    View DOI
    21 cites

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

    Endocrine-Related Cancer1970journal article

    View DOI
    21 cites

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

    Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie2021journal article

    View DOI
    20 cites

  88. Molecular targets for Malarial chemotherapy: A review

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    20 cites

  89. 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

    View DOI
    20 cites

  90. 4-Hydroxy-trans-2-nonenal (4-HNE) induces neuronal SH-SY5Y cell death via hampering ATP binding at kinase domain of Akt1

    Archives of Toxicology1970journal article

    View DOI
    20 cites

  91. 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

    View DOI
    18 cites

  92. 3-methylcholanthrene induces neurotoxicity in developing neurons derived from human CD34+thy1+ stem cells by activation of aryl hydrocarbon receptor

    NeuroMolecular Medicine1970journal article

    View DOI
    18 cites

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

    Journal of personalized medicine2022journal article

    View DOI
    17 cites

  94. Importance of Neem Leaf: An insight into its role in combating diseases.

    2016

    17 cites

  95. 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

    View DOI
    17 cites

  96. Ultrafast electron transfer at the ZnIn<sub>2</sub>S<sub>4</sub>/MoS<sub>2</sub> S-scheme interface for photocatalytic hydrogen evolution

    2025

    View DOI
    16 cites

  97. 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

    View DOI
    16 cites

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

    Microorganisms2022journal article

    View DOI
    16 cites

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

    PLOS ONE2022journal article

    View DOI
    16 cites

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

    PLOS ONE2021journal article

    View DOI
    16 cites

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

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    16 cites

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

    Letters in Drug Design and Discovery1970journal article

    View DOI
    16 cites

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

    Cells2023journal article

    View DOI
    15 cites

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

    Nanomaterials2021journal article

    View DOI
    15 cites

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

    International journal of biological macromolecules2021journal article

    View DOI
    15 cites

  106. Microwave-assisted modified synthesis of C8-analogues of naturally occurring methylxanthines: Synthesis, biological evaluation and their practical applications

    2020

    View DOI
    15 cites

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

    Archiv der Pharmazie1970journal article

    View DOI
    15 cites

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

    Molecular and cellular biochemistry2022journal article

    View DOI
    14 cites

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

    Current topics in medicinal chemistry2021journal article

    View DOI
    14 cites

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

    Computational and structural biotechnology journal2020journal article

    View DOI
    14 cites

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

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    14 cites

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

    Scientific Reports1970journal article

    View DOI
    14 cites

  113. Exploring binding mechanism of naringenin to human transferrin using combined spectroscopic and computational methods: Towards therapeutic targeting of neurodegenerative diseases

    2022

    View DOI
    13 cites

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

    Pharmaceuticals2022journal article

    View DOI
    13 cites

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

    Journal of Cellular Biochemistry2021journal article

    View DOI
    13 cites

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

    Current topics in medicinal chemistry2021journal article

    View DOI
    13 cites

  117. Identification of cytochrome P450 heme motif in plants proteome

    2013

    13 cites

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

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    13 cites

  119. Molecular crosstalk between miRNAs and lncRNAs in neurodegenerative disease pathways

    2025

    View DOI
    12 cites

  120. Remodeling of tumour microenvironment: strategies to overcome therapeutic resistance and innovate immunoengineering in triple-negative breast cancer

    2024

    View DOI
    12 cites

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

    RSC Advances1970journal article

    View DOI
    11 cites

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

    Journal of Biomolecular Structure and Dynamics2021journal article

    View DOI
    10 cites

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

    RSC Medicinal Chemistry1970journal article

    View DOI
    10 cites

  124. 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

    View DOI
    9 cites

  125. 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

    View DOI
    9 cites

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

    Chemical Physics Impact2024journal article

    View DOI
    9 cites

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

    Current Issues in Molecular Biology2022journal article

    View DOI
    9 cites

  128. 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

    View DOI
    9 cites

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

    Biomedicines2021journal article

    View DOI
    9 cites

  130. In-silico Studies and Wet-Lab Validation of Camptothecin Derivatives for Anti-Cancer Activity Against Liver (HepG2) and Lung (A549) Cancer Cell Lines

    2021

    View DOI
    9 cites

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

    Heliyon2024journal article

    View DOI
    8 cites

  132. Diazepam-based covalent modifiers of GPX4 induce ferroptosis in liver cancer cells

    2024

    View DOI
    8 cites

  133. 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

    View DOI
    8 cites

  134. 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

    View DOI
    8 cites

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

    Cells2025journal article

    View DOI
    7 cites

  136. 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

    View DOI
    7 cites

  137. 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

    View DOI
    7 cites

  138. A Clinical Update on SARS-CoV-2: Pathology and Development of Potential Inhibitors

    2023

    View DOI
    7 cites

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

    PloS one2021journal article

    View DOI
    7 cites

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

    Journal of King Saud University - Science2024journal article

    View DOI
    6 cites

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

    Journal of Molecular Structure2024journal article

    View DOI
    6 cites

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

    ACS Omega2023journal article

    View DOI
    6 cites

  143. Twitter Sentiment Analysis in the Crisis Between Russia and Ukraine Using the Bert and LSTM Model

    2023

    View DOI
    6 cites

  144. Comparative Efficacy of Biological, Botanical and Chemical Treatments Against Damping Off Disease of Tomato in Chitwan

    2022

    View DOI
    6 cites

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

    Current topics in medicinal chemistry2021journal article

    View DOI
    6 cites

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

    Bioorganic and Medicinal Chemistry Letters1970journal article

    View DOI
    6 cites

  147. Identification of potential inhibitors of Ubiquitin carboxyl-terminal hydrolase 21 from repurposed drugs: Implications in anticancer therapeutics

    2024

    View DOI
    5 cites

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

    ChemistryOpen2024journal article

    View DOI
    5 cites

  149. 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

    View DOI
    5 cites

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

    Current topics in medicinal chemistry2021journal article

    View DOI
    5 cites

  151. On Estimation of Population Coefficient of Variation in Presence of Measurement Errors

    2017

    View DOI
    5 cites

  152. Some Improved Estimators for Estimating Population Variance in the Presence of Measurement Errors

    2016

    View DOI
    5 cites

  153. Software and Web Resources for Computer-Aided Molecular Modeling and Drug Discovery

    2016

    View DOI
    5 cites

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