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Anuraj Nayarisseri

Eminent BiosciencesIN
ORCID0000-0003-2567-9630
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30

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Citations
3,008

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Publications
170

About

Anuraj Nayarisseri is an academic researcher affiliated with Eminent Biosciences. With a prolific output of 131 publications spanning over 56 years (1970-2026), his research focus lies in the application of QSAR and SVM models to various biological systems, including medicinal chemistry, pharmacology, and microbiology.

Research areas

  • Biology
  • Chemistry
  • Medicine
  • Computational biology
  • Biochemistry

Publications (170)

Sorted by most cited.

  1. Screening, isolation and characterization of biosurfactant producing Bacillus subtilis strain ANSKLAB03

    2018

    View DOI
    144 cites

  2. Implications of a novel Pseudomonas species on low density polyethylene biodegradation: an in vitro to in silico approach

    SpringerPlus1970journal article

    View DOI
    128 cites

  3. Artificial Intelligence, Big Data and Machine Learning Approaches in Precision Medicine & Drug Discovery

    2021

    View DOI
    127 cites

  4. Computational studies applied to flavonoids against Alzheimer’s and Parkinson’s diseases

    Oxidative Medicine and Cellular Longevity1970journal article

    View DOI
    96 cites

  5. Shape-based machine learning models for the potential novel covid-19 protease inhibitors assisted by molecular dynamics simulation

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    46 cites

  6. Screening, isolation and characterization of biosurfactant-producing Bacillus tequilensis strain ANSKLAB04 from brackish river water

    International Journal of Environmental Science and Technology1970journal article

    View DOI
    46 cites

  7. An in silico approach to identify high affinity small molecule targeting m-TOR inhibitors for the clinical treatment of breast cancer

    Asian Pacific Journal of Cancer Prevention1970journal article

    View DOI
    46 cites

  8. Structure-based virtual screening for the identification of high affinity compounds as potent VEGFR2 inhibitors for the treatment of renal cell carcinoma

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    44 cites

  9. Virtual screening approaches in identification of bioactive compounds akin to delphinidin as potential HER2 inhibitors for the treatment of breast cancer

    Asian Pacific Journal of Cancer Prevention1970journal article

    View DOI
    44 cites

  10. Molecular docking based screening of GABA (A) receptor inhibitors from plant derivatives

    Bioinformation2015journal article

    View DOI
    41 cites

  11. Design of novel JAK3 Inhibitors towards Rheumatoid Arthritis using molecular docking analysis

    2019

    View DOI
    40 cites

  12. Design of PD-L1 inhibitors for lung cancer

    2019

    View DOI
    40 cites

  13. Molecular dynamic simulations reveal suboptimal binding of salbutamol in T164I variant of β2 adrenergic receptor

    PLoS ONE1970journal article

    View DOI
    40 cites

  14. FLT3 inhibitor design using molecular docking based virtual screening for acute myeloid leukemia

    2019

    View DOI
    39 cites

  15. Computer aided identification of sodium channel blockers in the clinical treatment of epilepsy using molecular docking tools

    2015

    View DOI
    39 cites

  16. Virtual Screening of IL-6 Inhibitors for Idiopathic Arthritis

    2019

    View DOI
    37 cites

  17. Natural Bioactive Products with Antioxidant Properties Useful in Neurodegenerative Diseases

    Oxidative Medicine and Cellular Longevity1970journal article

    View DOI
    36 cites

  18. An in silico investigation of potential EGFR inhibitors for the clinical treatment of colorectal cancer

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    36 cites

  19. A virtual screening approach for the identification of high affinity small molecules targeting BCR-ABL1 inhibitors for the treatment of chronic myeloid leukemia

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    35 cites

  20. Insights from the predicted epitope similarity between Mycobacterium tuberculosis virulent factors and its human homologs

    Bioinformation1970journal article

    View DOI
    33 cites

  21. Molecular Docking studies of FKBP12-mTOR inhibitors using binding predictions

    2015

    View DOI
    32 cites

  22. Molecular docking approaches in identification of high affinity inhibitors of human SMO receptor

    Bioinformation1970journal article

    View DOI
    32 cites

  23. Advancement in microbial cheminformatics

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    32 cites

  24. Editorial: Chemoinformatics models for pharmaceutical design, part 2

    Current Pharmaceutical Design1970journal article

    View DOI
    31 cites

  25. High affinity pharmacological profiling of dual inhibitors targeting RET and VEGFR2 in inhibition of kinase and angiogeneis events in medullary thyroid carcinoma

    Asian Pacific Journal of Cancer Prevention1970journal article

    View DOI
    31 cites

  26. Computational evaluation of new homologous down regulators of translationally controlled tumor protein (TCTP) targeted for tumor reversion

    Interdisciplinary Sciences: Computational Life Sciences1970journal article

    View DOI
    30 cites

  27. Development of MLR and SVM aided QSAR models to identify common SAR of GABA uptake herbal inhibitors used in the treatment of schizophrenia

    Current Neuropharmacology1970journal article

    View DOI
    30 cites

  28. Structure-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation of VEGF inhibitors for the clinical treatment of Ovarian Cancer

    Journal of Molecular Modeling1970journal article

    View DOI
    30 cites

  29. Experimental and computational approaches to improve binding affinity in chemical biology and drug discovery

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    29 cites

  30. Helix-coil transition signatures B-Raf V600E mutation and virtual screening for inhibitors directed against mutant B-Raf

    Current Drug Metabolism1970journal article

    View DOI
    29 cites

  31. Molecular Docking and Pharmacological Investigations of Rivastigmine-Fluoxetine and Coumarin–Tacrine hybrids against Acetyl Choline Esterase

    Bioinformation2015journal article

    View DOI
    28 cites

  32. Structure based virtual screening of ligands to identify cysteinyl leukotriene receptor 1 antagonist

    Bioinformation2014journal article

    View DOI
    28 cites

  33. Identification and Characterization of a Pesticide Degrading Flavobacterium Species EMBS0145 by 16S rRNA Gene Sequencing

    Interdisciplinary Sciences: Computational Life Sciences1970journal article

    View DOI
    28 cites

  34. An in silico approach for identification of novel inhibitors as a potential therapeutics targeting HIV-1 viral infectivity factor

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    28 cites

  35. Multiclass comparative virtual screening to identify Novel Hsp90 inhibitors: A therapeutic breast cancer drug target

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    28 cites

  36. An in silico appraisal to identify high affinity anti-apoptotic synthetic tetrapeptide inhibitors targeting the mammalian caspase 3 enzyme

    Asian Pacific Journal of Cancer Prevention1970journal article

    View DOI
    28 cites

  37. Functional inhibition of VEGF and EGFR suppressors in cancer treatment

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    28 cites

  38. Design, synthesis and computational evaluation of a novel intermediate salt of N-cyclohexyl-N-(cyclohexylcarbamoyl)-4-(trifluoromethyl) benzamide as potential potassium channel blocker in epileptic paroxysmal seizures

    Computational Biology and Chemistry1970journal article

    View DOI
    28 cites

  39. Structural characterization and mutational assessment of podocin — A novel drug target to nephrotic syndrome — An in silico approach

    Interdisciplinary Sciences: Computational Life Sciences1970journal article

    View DOI
    27 cites

  40. Structure-based virtual screening for the identification of high-affinity small molecule towards STAT3 for the clinical treatment of osteosarcoma

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    27 cites

  41. In silico investigations on HSP90 and its inhibition for the therapeutic prevention of breast cancer

    Journal of Pharmacy Research2013journal article

    View DOI
    26 cites

  42. Editorial: Chemoinformatics models for pharmaceutical design, part 1

    Current Pharmaceutical Design1970journal article

    View DOI
    26 cites

  43. Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation and Pharmacokinetic modelling of Cyclooxygenase-2 (COX-2) inhibitor for the clinical treatment of Colorectal Cancer

    Molecular Simulation1970journal article

    View DOI
    25 cites

  44. A computer-aided drug designing for pharmacological inhibition of mutant alk for the treatment of non-small cell lung cancer

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    25 cites

  45. Identification of high-affinity small molecules targeting Gamma secretase for the treatment of Alzheimer’s disease

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    25 cites

  46. In silico insights on GD2: A potential target for pediatric neuroblastoma

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    25 cites

  47. Identification and pharmacological analysis of high efficacy small molecule inhibitors of EGF-EGFR interactions in clinical treatment of non-small cell lung carcinoma: A computational approach

    Asian Pacific Journal of Cancer Prevention1970journal article

    View DOI
    25 cites

  48. Screening, Purification and Characterization of Protease Inhibitor from Capsicum frutescens

    2018

    View DOI
    24 cites

  49. COMPARATIVE MODELING OF METHYLENTETRAHYDROFOLATE REDUCTASE (MTHFR) ENZYME AND ITS MUTATIONAL ASSESSMENT: IN SILICO APPROACH

    International Journal of Bioinformatics Research2010journal article

    View DOI
    24 cites

  50. Identification of high affinity bioactive salbutamol conformer directed against mutated (Thr164Ile) beta 2 adrenergic receptor

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    24 cites

  51. Isolation and characterization of a novel chlorpyrifos degrading flavobacterium species EMBS0145 by 16S rRNA gene sequencing

    Interdisciplinary Sciences: Computational Life Sciences1970journal article

    View DOI
    24 cites

  52. Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation of EGFR for the Clinical Treatment of Glioblastoma

    Applied Biochemistry and Biotechnology1970journal article

    View DOI
    24 cites

  53. Association of Beta 2 adrenergic receptor (Thr164Ile) polymorphism with Salbutamol refractoriness in severe asthmatics from Indian population

    Gene1970journal article

    View DOI
    24 cites

  54. Potential inhibitors of VEGFR1, VEGFR2, and VEGFR3 developed through Deep Learning for the treatment of Cervical Cancer

    Scientific Reports2024journal article

    View DOI
    23 cites

  55. Prospects of utilizing computational techniques for the treatment of human diseases

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    23 cites

  56. Improving neuropharmacology using big data, machine learning and computational algorithms

    Current Neuropharmacology1970journal article

    View DOI
    23 cites

  57. Identification of small molecule as a high affinity β2 agonist promiscuously targeting wild and mutated (Thr164ile) β 2 adrenergic receptor in the treatment of bronchial asthma

    Current Pharmaceutical Design1970journal article

    View DOI
    23 cites

  58. Pharmacological analysis of Vorinostat analogues as potential anti-tumor agents targeting human histone deacetylases: An epigenetic treatment stratagem for cancers

    Asian Pacific Journal of Cancer Prevention1970journal article

    View DOI
    23 cites

  59. Structural basis for the in vitro known acyl-depsipeptide 2 (ADEP2) inhibition to Clp 2 protease from Mycobacterium tuberculosis

    Bioinformation2016journal article

    View DOI
    22 cites

  60. Identification and characterization of foodborne pathogen Listeria monocytogenes strain Pyde1 and Pyde2 using 16S rRNA gene sequencing

    Journal of Pharmacy Research2013journal article

    View DOI
    22 cites

  61. Pharmacogenomics of drug resistance in Breast Cancer Resistance Protein (BCRP) and its mutated variants

    Journal of Pharmacy Research2013journal article

    View DOI
    22 cites

  62. Identification of high affinity non-peptidic small molecule inhibitors of MDM2-p53 interactions through structure-based virtual screening strategies

    Asian Pacific Journal of Cancer Prevention1970journal article

    View DOI
    22 cites

  63. Alkyloxy carbonyl modified hexapeptides as a high affinity compounds for Wnt5A protein in the treatment of psoriasis

    Bioinformation1970journal article

    View DOI
    22 cites

  64. Computer-aided drug designing for the identification of high-affinity small molecule targeting CD20 for the clinical treatment of chronic lymphocytic leukemia (CLL)

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    22 cites

  65. Molecular docking analysis of RN18 and VEC5 in A3G-Vif inhibition

    Bioinformation2014journal article

    View DOI
    21 cites

  66. Screening, Isolation and Identification of Probiotic Producing Lactobacillus acidophilus Strains EMBS081 & EMBS082 by 16S rRNA Gene Sequencing

    Interdisciplinary Sciences: Computational Life Sciences1970journal article

    View DOI
    21 cites

  67. Impact of next-generation whole-exome sequencing in molecular diagnostics

    Drug Invention Today1970journal article

    View DOI
    21 cites

  68. Genome analysis of biosurfactant producing bacterium, Bacillus tequilensis

    PLoS ONE1970journal article

    View DOI
    21 cites

  69. In silico insights on il-6: A potential target for multicentric castleman disease

    Current Computer-Aided Drug Design1970journal article

    View DOI
    21 cites

  70. Computer-aided structure prediction of bluetongue virus coat protein vp2 assisted by optimized potential for liquid simulations (Opls)

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    21 cites

  71. Coupling effect of ionophore and oxidoreductases produced by halotolerant novel fungal strain Trametes flavida WTFP2 on dye wastewater treatment: An optimized green bioprocess

    Journal of Environmental Chemical Engineering2023journal article

    View DOI
    20 cites

  72. Identification of potent VEGF inhibitors for the clinical treatment of glioblastoma, a virtual screening approach

    Asian Pacific Journal of Cancer Prevention1970journal article

    View DOI
    20 cites

  73. Molecular modeling of Acetyl-CoA carboxylase (ACC) from Jatropha curcas and virtual screening for identification of inhibitors

    Journal of Pharmacy Research2013journal article

    View DOI
    19 cites

  74. Identification and characterization of alkaline protease producing Bacillus firmus species EMBS023 by 16S rRNA gene sequencing

    Interdisciplinary Sciences: Computational Life Sciences1970journal article

    View DOI
    19 cites

  75. Binding modes and pharmacophoric features of muscarinic antagonism and β 2 agonism (MABA) conjugates

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    19 cites

  76. Structural Insights into the Molecular Design of ROS1 Inhibitor for the Treatment of Non-Small Cell Lung Cancer (NSCLC)

    Current Computer-Aided Drug Design1970journal article

    View DOI
    19 cites

  77. Characterization and optimization of azo dyes degrading microbes isolated from textile effluent

    Scientific Reports2025journal article

    View DOI
    18 cites

  78. Mechanistics in drug design - experimental molecular biology vs. molecular modeling

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    16 cites

  79. A multi-target drug designing for BTK, MMP9, proteasome and TAK1 for the clinical treatment of mantle cell lymphoma

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    16 cites

  80. Identification and characterization of lipopeptide biosurfactant producing microbacterium sp isolated from brackish river water

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    16 cites

  81. Characterization of an industrially important alkalophilic bacterium, Bacillus agaradhaerens strain nandiniphanse5

    Journal of Pharmacy Research2013journal article

    View DOI
    15 cites

  82. Biodegradation effects of o-cresol by Pseudomonas monteilii SHY on mustard seed germination

    2018

    View DOI
    14 cites

  83. Identification of azo dye degrading Sphingomonas strain EMBS022 and EMBS023 using 16S rRNA gene sequencing

    Current Bioinformatics1970journal article

    View DOI
    14 cites

  84. Biodegradation of plasticizers by novel strains of bacteria isolated from plastic waste near Juhu Beach, Mumbai, India

    Scientific Reports1970journal article

    View DOI
    13 cites

  85. Common SAR derived from linear and non-linear QSAR studies on AChE inhibitors used in the treatment of Alzheimer’s disease

    Current Neuropharmacology1970journal article

    View DOI
    12 cites

  86. Artificial intelligence, big data and machine learning approaches in genome-wide SNP-based prediction for precision medicine and drug discovery

    Big Data Analytics in Chemoinformatics and Bioinformatics: with Applications to Computer-Aided Drug Design, Cancer Biology, Emerging Pathogens and Computational Toxicology1970book chapter

    View DOI
    12 cites

  87. Optimization of Gaussian Kernel Function in Support Vector Machine aided QSAR studies of C-aryl glucoside SGLT2 inhibitors

    Interdiscip Sci Comput Life Sci2013journal article

    View DOI
    11 cites

  88. Most promising compounds for treating covid-19 and recent trends in antimicrobial & antifungal agents

    Current Topics in Medicinal Chemistry1970journal article

    View DOI
    11 cites

  89. Natural Bioactive Products with Antioxidant Properties Useful in Neurodegenerative Diseases 2020

    Oxidative Medicine and Cellular Longevity1970journal article

    View DOI
    10 cites

  90. Identification and characterization of cresol degrading Pseudomonas monteilii strain SHY from Soil samples

    2018

    View DOI
    9 cites

  91. Cross evaluation of different classes of alpha-adrenergic receptor antagonists to identify overlapping pharmacophoric requirements

    Journal of Pharmacy Research2013journal article

    View DOI
    9 cites

  92. Isolation and characterization of novel hydrocarbon-degrading bacteria from oil polluted soil near Nacharam, Hyderabad, India

    2025

    View DOI
    8 cites

  93. Global QSAR modeling of LogP values of phenethylamines acting as adrenergic alpha-1 receptor agonists

    Interdisciplinary Sciences: Computational Life Sciences1970journal article

    View DOI
    8 cites

  94. Differentially expressed genes in tumors of prostate cancer in American patients with European and African origin

    Journal of Pharmacy Research2013journal article

    View DOI
    7 cites

  95. COMPARATIVE MODELING OF 3-OXOACYL-ACYL-CARRIER PROTEIN SYNTHASE I/II IN PLASMODIUM FALCIPARUM– A POTENT TARGET OF MALARIA

    International Journal of Bioinformatics Research2010journal article

    View DOI
    7 cites

  96. Synthesis, crystal structure, hirshfeld surface analysis, molecular docking and molecular dynamics studies of novel olanzapinium 2,5-dihydroxybenzoate as potential and active antipsychotic compound

    Journal of Experimental Nanoscience1970journal article

    View DOI
    7 cites

  97. A Computer - Aided Drug Designing for Pharmacological inhibition of ALK inhibitors induces apoptosis and differentiation in Non-small cell lung cancer

    1969

    7 cites

  98. 2-Aminothiophene Derivatives—New Drug Candidates Against Leishmaniasis: Drug Design, Synthesis, Pharmacomodulation, and Antileishmanial Activity

    Pharmaceuticals2025journal article

    View DOI
    6 cites

  99. Common sar derived from multiple QSAR models on vorinostat derivatives targeting HDACS in tumor treatment

    Current Pharmaceutical Design1970journal article

    View DOI
    6 cites

  100. Promoter-motif extraction from co-regulated genes and their relevance to co-expression using E. coli as a model

    Briefings in Functional Genomics1970journal article

    View DOI
    6 cites

  101. Whole genome sequence of petroleum hydrocarbon degrading novel strain Microbacter sp. EMBS2025 isolated from Chilika Lake, Odisha, India

    Scientific Reports2025journal article

    View DOI
    5 cites

  102. Screening, isolation and identification of Probiotic producing lactobacillus acidophilus strains EMBS081 & EMBS082 by 16S rRNA gene sequencing

    Interdiscip Sci Comput Life Sci2014journal article

    View DOI
    5 cites

  103. Identification of LOGP Values and Electronegativities As Structural Insights to Model Inhibitory Activity of HIV-1 Capsid Inhibitors - A SVM and MLR Aided QSAR Studies

    Current Topics in Medicinal Chemistry2012journal article

    View DOI
    5 cites

  104. Unveiling the ESR1 Conformational Stability and Screening Potent Inhibitors for Breast Cancer Treatment

    Medicinal Chemistry1970journal article

    View DOI
    4 cites

  105. Drug design and synthesis of new N-substituted-thienopyridine based on 2-aminothiophene derivatives as antileishmanial agents

    2025

    View DOI
    3 cites

  106. Identification and Characterization of Biosurfactant-producing Novel Paenibacillus dendritiformis Strain ANSKLAB02 from Brackish River Water

    Current Biotechnology2025journal article

    View DOI
    3 cites

  107. A Machine Learning approach for the identification of <em>CRISPR</em><em>/</em><em>Cas9</em> nuclease <em>off</em><em>-</em><em>target for the treatment of Hemophilia</em>

    2019

    View DOI
    3 cites

  108. Identification and characterization of a pesticide degrading flavobacterium species EMBS0145 by 16S rRNA gene sequencing

    Interdiscip Sci Comput Life Sci2014journal article

    View DOI
    3 cites

  109. Overlapping structure features selection in linear and non-linear QSAR

    Journal of Pharmacy Research2013journal article

    View DOI
    3 cites

  110. Navigating the genomic landscape: A deep dive into clinical genetics with deep learning

    Deep Learning in Genetics and Genomics: Volume 1: Foundations and Introductory Applications1970book chapter

    View DOI
    3 cites

  111. Epigenetic dysregulation in cancers by isocitrate dehydrogenase 2 (IDH2)

    Advances in Protein Chemistry and Structural Biology1970book

    View DOI
    3 cites

  112. Structural insights into conformational stability of ESR1 and structure base screening of new potent inhibitor for the treatment of Breast Cancer

    2022

    View DOI
    2 cites

  113. Machine Learning, Deep Learning and Artificial Intelligence approach for predicting CRISPR for the Cancer treatment

    2019

    View DOI
    2 cites

  114. Credential role of van der Waal volumes and atomic masses in modeling hepatitis C virus NS5B polymerase inhibition by Tetrahydrobenzo-thiophenes using SVM and MLR aided QSAR studies

    Current Bioinformatics1970journal article

    View DOI
    2 cites

  115. Intrinsically disordered proteins in viral pathogenesis and infections

    Advances in Protein Chemistry and Structural Biology1970book chapter

    View DOI
    2 cites

  116. Advances in leishmaniasis therapy: preparation, characterization and <i>in vitro</i> evaluation of poly (lactic acid) polymeric nanoparticles with the drug candidate SB-83

    2025

    View DOI
    1 cites

  117. 2-Aminothiophene derivatives reduce resistance to fluoroquinolones in Staphylococcus aureus strains which overexpress NorA and MepA efflux pumps

    2025

    View DOI
    1 cites

  118. Virtual Screening of Different Subclasses of Lignans with Anticancer Potential and Based on Genetic Profile

    Molecules2023journal article

    View DOI
    1 cites

  119. Molecular characterization of Lipopeptide Biosurfactant-Producing Paenibacillus dendritiformis isolated from Brackish water and its Potential Use in Microbial Enhanced Oil Recovery and Bioremediation

    Research Square2023preprint

    View DOI
    1 cites

  120. Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation of EGFR for the clinical treatment of Glioblastoma

    2022

    View DOI
    1 cites

  121. Screening And Characterization of Lipopeptide Biosurfactant Producing Paenibacilus Dendritiformis And Its Applicability for Enhanced Oil Recovery

    2021

    View DOI
    1 cites

  122. An In silico approach for the identification of GRB2 inhibitors for the treatment of &lt;em&gt;Polycystic ovary syndrome&lt;/em&gt; &lt;em&gt;(&lt;/em&gt;&lt;em&gt;PCOS&lt;/em&gt;&lt;em&gt;)&lt;/em&gt;

    2020

    View DOI
    1 cites

  123. A Machine learning approach for the prediction of efficient iPSC modeling

    2019

    View DOI
    1 cites

  124. Machine learning models to predict the precise progression of Tay-Sachs and Related Disease

    2019

    View DOI
    1 cites

  125. A LINEAR QSAR AND DOCKING APPROACH TO MODEL INHIBITORY ACTIVITY OF 2-ARYLBENZOXAZOLE DERIVATIVES AS CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITORS

    International Journal of Drug Discovery2011journal article

    View DOI
    1 cites

  126. Regulative role of atomic autocorrelated electronegativities and polarizabilities in β2 potency of ultra long acting agonists identified in QSAR studies

    Current Bioinformatics1970journal article

    View DOI
    1 cites

  127. Transcriptomic Analysis of Primary Breast Cancer Utilizing Gene Expression Datasets from Middle-aged Caucasian Women

    Research Square1970other

    View DOI
    1 cites

  128. Structural insights into conformational stability of ESR1 and structure base screening of new potent inhibitor for the treatment of Breast Cancer

    Research Square1970other

    View DOI
    1 cites

  129. Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation of EGFR for the clinical treatment of Glioblastoma

    Research Square1970other

    View DOI
    1 cites

  130. Artificial intelligence, big data and machine learning approaches in precision medicine &amp; drug discovery

    Current Drug Targets1970journal article

    View DOI
    1 cites

  131. Lack of association between ADRB2 (Gln27Glu) variant with susceptibility, severity and salbutamol response in South Indian asthmatics

    Scientific Reports2026journal article

    View DOI
    0 cites

  132. Spectroscopic exploration of mode of binding of ct DNA and BSA with acridone alkaloids isolated from Zanthoxylum leprieurii (Rutaceae)

    Natural Product Research2026journal article

    View DOI
    0 cites

  133. Cannabidiol against Epilepsy: Insights and an Experimental In Silico Approach

    2026

    View DOI
    0 cites

  134. Whole genome of petroleum hydrocarbon degrading Rhodococcus indonesiensis isolated from Nacharam, Hyderabad, India

    Scientific Reports2025journal article

    View DOI
    0 cites

  135. Comparative Transcriptomics Analysis of Oral Squamous Cell Carcinoma in Patients from Gujarat and Telangana States, India

    2025

    View DOI
    0 cites

  136. Characterization of natural therapeutic compounds producing novel bacterial strains isolated from Hyderabad, India

    Scientific Reports2025journal article

    View DOI
    0 cites

  137. Potential Inhibitors of SARS-CoV-2 Developed through Machine Learning, Molecular Docking, and MD Simulation

    2025

    View DOI
    0 cites

  138. Cross-Population Analysis of Breast CancerTranscriptomics: Comparative Insights Between Caucasian and Indian Patients

    2025

    View DOI
    0 cites

  139. Contributors

    2024

    View DOI
    0 cites

  140. Identification of Potential Inhibitors of SARS-CoV-2 Using Machine Learning, Molecular Docking and MD Simulation

    2024

    View DOI
    0 cites

  141. Nanobiostimulants: Precision Tools for Harnessing Soil Microbes and Elevating Agricultural Productivity

    2024

    View DOI
    0 cites

  142. List of contributors

    2023

    View DOI
    0 cites

  143. <b>VEGFR1, VEGFR2 and VEGFR3 Chemical compounds obtained from Deep Learning</b>

    2023

    View DOI
    0 cites

  144. CCDC 2010899: Experimental Crystal Structure Determination

    2022

    View DOI
    0 cites

  145. Screening and characterization of Lipopeptide Biosurfactant Producing Paenibacilus Dendritiformis and its applicability for enhanced oil recovery

    2022preprint

    View DOI
    0 cites

  146. Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics simulation of VEGF inhibitors for the clinical treatment of Ovarian Cancer

    2022

    View DOI
    0 cites

  147. Whole Genome Sequence of biosurfactant producing Bacillus tequilensis

    2020

    View DOI
    0 cites

  148. &lt;strong&gt;Structure Based docking studies for the identification of small molecule targeting mTOR for the treatment of Breast cancer&lt;/strong&gt;

    2018

    View DOI
    0 cites

  149. &lt;strong&gt;Molecular docking approach to identify potential anticancer compounds targeting ALOX5 for the treatment of Pancreatic Cancer&lt;/strong&gt;

    2018

    View DOI
    0 cites

  150. <strong>Identification of high affinity small molecules targeting ESR1 inhibitors for the treatment of Breast Cancer</strong>

    Proceedings of MOL2NET 2016, International Conference on Multidisciplinary Sciences, 2nd edition2016conference paper

    View DOI
    0 cites

  151. <strong>MOL2NET Introductory talk by M.Sc. Mitali Hardikar, Jr. Scientist, Audio: Hindi, हिन्दी</strong>

    Proceedings of MOL2NET 2016, International Conference on Multidisciplinary Sciences, 2nd edition2016conference paper

    View DOI
    0 cites

  152. IDENTIFICATION OF T-CELL EPITOPE FOR PROTECTIVE ANTIGEN AND LETHAL FACTOR OF Bacillus anthracis - AN IMMUNOINFORMATICS APPROACH

    2012

    View DOI
    0 cites

  153. In silico Gene Characterization and biological annotation of Aspergillus niger CBS 513.88

    Nature Precedings2011journal article

    View DOI
    0 cites

  154. 3D Structure Development of Chikungunya Virus and its Structural Characterization – an In silico approach

    Nature Precedings2010journal article

    View DOI
    0 cites

  155. Erratum to Identification and characterization of alkaline protease producing bacillus firmus species EMBS023 by 16S rRNA gene sequencing [Interdiscip Sci Comput Life Sci, 6, (2014), 271-278, DOI 10.1007/s12539-014-0187-z]

    Interdisciplinary Sciences: Computational Life Sciences1970journal article

    View DOI
    0 cites

  156. <strong>Phosphorylated Sites on the Disordered Interface Signatures the Interacting Behavior of Proteins - A Comparative Mapping of Phosphorylation Propensities on Disordered Interfaces of Interactome and Negatome</strong>

    Proceedings of MOL2NET, International Conference on Multidisciplinary Sciences1970conference paper

    View DOI
    0 cites

  157. PDB explorer — A web based algorithm for protein annotation viewer and 3D visualization

    Interdisciplinary Sciences: Computational Life Sciences1970journal article

    View DOI
    0 cites

  158. AI-driven drug repurposing and combination therapies: Revolutionizing treatment strategies and overcoming complex challenges

    1970book chapter

    View DOI
    0 cites

  159. Orofacial antinociceptive effect of a novel 2-amino-thiophene derivative and its possible targets of action

    Brazilian Oral Research1970journal article

    View DOI
    0 cites

  160. Biodegradation of Plasticizers by novel strains of Bacteria isolated from Plastic Waste near Juhu Beach, Mumbai, India.

    Research Square1970other

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    0 cites

  161. Characterization of Azo-dyes Degrading Microbes Isolated from Textile wastewater and Optimization of various Environmental Parameters

    Research Square1970other

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  162. Characterization of Natural Therapeutic Compounds Producing novel strains of bacteria Isolated from Rhizosphere soil samples.

    Research Square1970other

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  163. Identification of Potential Inhibitors of SARS-CoV-2 Using Machine Learning, Molecular Docking and MD Simulation

    Research Square1970other

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  164. In vitro evaluation of promiscuity and toxicity of a small molecule targeting wild and T164I β2-adrenergic receptors

    Bioorganic Chemistry1970journal article

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  165. Transcriptome analysis of Oral Squamous Cell Carcinoma Utilizing Expression Datasets of Middle-aged Indian Males

    Research Square1970other

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  166. Ecofriendly Green Bioprocess for Colored Wastewater Treatment Using Ionophore and Oxidoreductases Producing Halotolerant Novel Fungal Strain Trametes Flavida Wtfp2

    SSRN1970other

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  167. Structure-Based Virtual Screening, Molecular Docking, MolecularDynamics Simulation of VEGF Inhibitors for the Clinical Treatment of Ovarian Cancer

    Research Square1970other

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  168. Cell-based multi-target QSAR model for design of virtual versatile inhibitors of liver cancer cell lines

    SAR and QSAR in Environmental Research1970journal article

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  169. Whole Genome Sequence of Biosurfactant Producing Bacillus Tequilensis

    Research Square1970other

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  170. Identification of high-affinity small molecule targeting IDH2 for the clinical treatment of acute myeloid leukemia

    Asian Pacific Journal of Cancer Prevention1970journal article

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