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Nilanjan Adhikari

Jadavpur University Department of Pharmaceutical TechnologyIN
ORCID0000-0001-5523-7716
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32

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Citations
3,909

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Publications
173

About

Dr. Nilanjan Adhikari is an assistant professor in the Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India. He has completed his B.Pharm. (2007), M.Pharm. (2009), and Ph.D. (2018) degrees from Jadavpur University, Kolkata. He pursued his doctoral and postdoctoral research in the Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India. His research area includes the design, synthesis, and evaluation of anticancer small molecules, especially inhibitors of zinc-dependent metalloenzymes. He is also working on the drug design of different bioactive molecules through rigorous computational modeling techniques including quantitative structure− activity relationship (QSAR) analyses. He has published about 150 research and review articles in different reputed peer-reviewed journals along with eighteen book chapters.

Research areas

  • Chemistry
  • Computational biology
  • Medicine
  • Biochemistry
  • Biology

Publications (173)

Sorted by most cited.

  1. Matrix metalloproteinase-9 (MMP-9) and its inhibitors in cancer: A minireview

    European Journal of Medicinal Chemistry2020journal article

    View DOI
    576 cites

  2. HDAC6 as privileged target in drug discovery: A perspective

    Pharmacological Research2021journal article

    View DOI
    243 cites

  3. Design of Aminopeptidase N Inhibitors as Anti-cancer Agents

    Journal of Medicinal Chemistry2018journal article

    View DOI
    128 cites

  4. Histone deacetylase 3 (HDAC3) inhibitors as anticancer agents: A review

    European Journal of Medicinal Chemistry2020journal article

    View DOI
    117 cites

  5. Histone deacetylase 8 (HDAC8) and its inhibitors with selectivity to other isoforms: An overview

    European Journal of Medicinal Chemistry2019journal article

    View DOI
    110 cites

  6. Pharmacophore-based virtual screening, 3D QSAR, Docking, ADMET, and MD simulation studies: An in silico perspective for the identification of new potential HDAC3 inhibitors

    2023

    View DOI
    99 cites

  7. HDAC3 is a potential validated target for cancer: An overview on the benzamide-based selective HDAC3 inhibitors through comparative SAR/QSAR/QAAR approaches

    European Journal of Medicinal Chemistry2018journal article

    View DOI
    79 cites

  8. Combating breast cancer with non-steroidal aromatase inhibitors (NSAIs): Understanding the chemico-biological interactions through comparative SAR/QSAR study

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    69 cites

  9. Is dual inhibition of metalloenzymes HDAC-8 and MMP-2 a potential pharmacological target to combat hematological malignancies?

    Pharmacological Research1970journal article

    View DOI
    69 cites

  10. Arylsulfonamides and selectivity of matrix metalloproteinase-2: An overview

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    65 cites

  11. Dissecting Histone Deacetylase 3 in Multiple Disease Conditions: Selective Inhibition as a Promising Therapeutic Strategy

    Journal of Medicinal Chemistry2021journal article

    View DOI
    62 cites

  12. Design, synthesis and biological screening of 2-aminobenzamides as selective HDAC3 inhibitors with promising anticancer effects

    European Journal of Pharmaceutical Sciences2018journal article

    View DOI
    61 cites

  13. Small molecule drug conjugates (SMDCs): an emerging strategy for anticancer drug design and discovery

    New Journal of Chemistry1970journal article

    View DOI
    57 cites

  14. Exploring pyrazolo[3,4-d]pyrimidine phosphodiesterase 1 (PDE1) inhibitors: a predictive approach combining comparative validated multiple molecular modelling techniques

    Journal of Biomolecular Structure and Dynamics1970journal article

    View DOI
    57 cites

  15. Robust design of some selective matrix metalloproteinase-2 inhibitors over matrix metalloproteinase-9 through in silico/fragment-based lead identification and de novo lead modification: Syntheses and biological assays

    Bioorganic and Medicinal Chemistry1970journal article

    View DOI
    54 cites

  16. Selective HDAC3 Inhibitors with Potent In Vivo Antitumor Efficacy against Triple-Negative Breast Cancer

    Journal of Medicinal Chemistry2023journal article

    View DOI
    53 cites

  17. Assessing structural insights into in-house arylsulfonyl L-(+) glutamine MMP-2 inhibitors as promising anticancer agents through structure-based computational modelling approaches

    SAR and QSAR in Environmental Research2023journal article

    View DOI
    46 cites

  18. First molecular modeling report on novel arylpyrimidine kynurenine monooxygenase inhibitors through multi-QSAR analysis against Huntington's disease: A proposal to chemists!

    Bioorganic and Medicinal Chemistry Letters1970journal article

    View DOI
    45 cites

  19. An assessment of crucial structural contributors of HDAC6 inhibitors through fragment-based non-linear pattern recognition and molecular dynamics simulation approaches

    Computational Biology and Chemistry2024journal article

    View DOI
    44 cites

  20. Selective inhibition of histone deacetylase 3 by novel hydrazide based small molecules as therapeutic intervention for the treatment of cancer

    European Journal of Medicinal Chemistry2022journal article

    View DOI
    43 cites

  21. Design, synthesis, biological evaluation and molecular docking study of arylcarboxamido piperidine and piperazine-based hydroxamates as potential HDAC8 inhibitors with promising anticancer activity

    European Journal of Pharmaceutical Sciences2019journal article

    View DOI
    43 cites

  22. Structure-activity relationships of HDAC8 inhibitors: Non-hydroxamates as anticancer agents

    Pharmacological Research2018journal article

    View DOI
    42 cites

  23. First report on the structural exploration and prediction of new BPTES analogs as glutaminase inhibitors

    Journal of Molecular Structure1970journal article

    View DOI
    42 cites

  24. Good and bad molecular fingerprints for human rhinovirus 3C protease inhibition: identification, validation, and application in designing of new inhibitors through Monte Carlo-based QSAR study

    Journal of Biomolecular Structure and Dynamics2020journal article

    View DOI
    41 cites

  25. Histone deacetylase 3 inhibitors in learning and memory processes with special emphasis on benzamides

    European Journal of Medicinal Chemistry2019journal article

    View DOI
    41 cites

  26. Structure–activity relationships of hydroxamate-based histone deacetylase-8 inhibitors: reality behind anticancer drug discovery

    Future Medicinal Chemistry2017journal article

    View DOI
    40 cites

  27. Glycyrrhizin as a promising kryptonite against SARS-CoV-2: Clinical, experimental, and theoretical evidences

    2022

    View DOI
    38 cites

  28. Exploring structural requirements of aurone derivatives as antimalarials by validated DFT-based QSAR, HQSAR, and COMFA-COMSIA approach

    Medicinal Chemistry Research1970journal article

    View DOI
    36 cites

  29. Synthesis, biological evaluation, and molecular docking analysis of novel linker-less benzamide based potent and selective HDAC3 inhibitors

    Bioorganic Chemistry2021journal article

    View DOI
    33 cites

  30. Hydroxyethylamine derivatives as HIV-1 protease inhibitors: a predictive QSAR modelling study based on Monte Carlo optimization

    SAR and QSAR in Environmental Research2017journal article

    View DOI
    33 cites

  31. A Review on Camptothecin Analogs with Promising Cytotoxic Profile

    Anti-Cancer Agents in Medicinal Chemistry2019journal article

    View DOI
    32 cites

  32. Diverse classes of HDAC8 inhibitors: in search of molecular fingerprints that regulate activity

    Future Medicinal Chemistry2018journal article

    View DOI
    32 cites

  33. A pentanoic acid derivative targeting matrix metalloproteinase-2 (MMP-2) induces apoptosis in a chronic myeloid leukemia cell line

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    31 cites

  34. Design, synthesis and binding mode of interaction of novel small molecule o-hydroxy benzamides as HDAC3-selective inhibitors with promising antitumor effects in 4T1-Luc breast cancer xenograft model

    Bioorganic Chemistry2021journal article

    View DOI
    28 cites

  35. In silico modelling, identification of crucial molecular fingerprints, and prediction of new possible substrates of human organic cationic transporters 1 and 2

    New Journal of Chemistry1970journal article

    View DOI
    28 cites

  36. Selective Inhibitors of Medium-Size S1′ Pocket Matrix Metalloproteinases: A Stepping Stone of Future Drug Discovery

    Journal of Medicinal Chemistry2022journal article

    View DOI
    27 cites

  37. Designing potential HDAC3 inhibitors to improve memory and learning

    Journal of Biomolecular Structure and Dynamics2019journal article

    View DOI
    27 cites

  38. Selective and nonselective HDAC8 inhibitors: a therapeutic patent review

    Pharmaceutical Patent Analyst2018journal article

    View DOI
    27 cites

  39. Structural findings of phenylindoles as cytotoxic antimitotic agents in human breast cancer cell lines through multiple validated QSAR studies

    Toxicology in Vitro1970journal article

    View DOI
    27 cites

  40. Monte Carlo based modelling approach for designing and predicting cytotoxicity of 2-phenylindole derivatives against breast cancer cell line MCF7

    Toxicology in Vitro2018journal article

    View DOI
    26 cites

  41. Comparative validated molecular modeling of p53-HDM2 inhibitors as antiproliferative agents

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    26 cites

  42. Fragment-based discovery of new potential DNMT1 inhibitors integrating multiple pharmacophore modeling, 3D-QSAR, virtual screening, molecular docking, ADME, and molecular dynamics simulation approaches

    2024

    View DOI
    25 cites

  43. Quantitative structural assessments of potential meprin β inhibitors by non-linear QSAR approaches and validation by binding mode of interaction analysis

    New Journal of Chemistry1970journal article

    View DOI
    25 cites

  44. Development of decision trees to discriminate HDAC8 inhibitors and non-inhibitors using recursive partitioning

    Journal of Biomolecular Structure and Dynamics2021journal article

    View DOI
    24 cites

  45. Understanding Chemico-Biological Interactions of Glutamate MMP-2 Inhibitors through Rigorous Alignment-Dependent 3D-QSAR Analyses

    ChemistrySelect2017journal article

    View DOI
    23 cites

  46. Ligand-based Design of Anticancer MMP2 Inhibitors: a Review

    Future Medicinal Chemistry2021journal article

    View DOI
    22 cites

  47. Effective anti-aromatase therapy to battle against estrogen-mediated breast cancer: Comparative SAR/QSAR assessment on steroidal aromatase inhibitors

    European Journal of Medicinal Chemistry2020journal article

    View DOI
    22 cites

  48. Structural findings of quinolone carboxylic acids in cytotoxic, antiviral, and anti-HIV-1 integrase activity through validated comparative molecular modeling studies

    Medicinal Chemistry Research1970journal article

    View DOI
    22 cites

  49. Insight into structural features of phenyltetrazole derivatives as ABCG2 inhibitors for the treatment of multidrug resistance in cancer

    SAR and QSAR in Environmental Research2019journal article

    View DOI
    21 cites

  50. Structural exploration of hydroxyethylamines as HIV-1 protease inhibitors: new features identified

    SAR and QSAR in Environmental Research2018journal article

    View DOI
    21 cites

  51. Comparative QSAR modelling of 2-phenylindole-3-carbaldehyde derivatives as potential antimitotic agents

    Bioorganic and Medicinal Chemistry Letters1970journal article

    View DOI
    21 cites

  52. Structural exploration for the refinement of anticancer matrix metalloproteinase-2 inhibitor designing approaches through robust validated multi-QSARs

    Journal of Molecular Structure2018journal article

    View DOI
    20 cites

  53. Possible binding mode analysis of pyrazolo-Triazole hybrids as potential anticancer agents through validated molecular docking and 3D-QSAR modeling approaches

    Letters in Drug Design and Discovery1970journal article

    View DOI
    20 cites

  54. Exploring structural requirements of unconventional Knoevenagel-type indole derivatives as anticancer agents through comparative QSAR modeling approaches

    Canadian Journal of Chemistry1970journal article

    View DOI
    20 cites

  55. Exploring structural requirements of 1-N-substituted thiocarbamoyl-3-phenyl-2-pyrazolines as antiamoebic agents using comparative QSAR modelling

    Bioorganic and Medicinal Chemistry Letters1970journal article

    View DOI
    20 cites

  56. Synthesis, biological assessment, and in silico binding mode interaction analyses and DFT studies of biphenylsulfonamide-based potent MMP-2 inhibitors effective against chronic myeloid leukemia

    Journal of Molecular Structure2025journal article

    View DOI
    19 cites

  57. Ligand-based quantitative structural assessments of SARS-CoV-2 3CLpro inhibitors: An analysis in light of structure-based multi-molecular modeling evidences

    Journal of Molecular Structure2022journal article

    View DOI
    19 cites

  58. Predictive comparative QSAR modelling of (phenylpiperazinyl-alkyl) oxindoles as selective 5-HT<inf>1A</inf> antagonists by stepwise regression, PCRA, FA-MLR and PLS techniques

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    19 cites

  59. Pinpointing prime structural attributes of potential MMP-2 inhibitors comprising alkyl/arylsulfonyl pyrrolidine scaffold: a ligand-based molecular modelling approach validated by molecular dynamics simulation analysis

    SAR and QSAR in Environmental Research2024journal article

    View DOI
    18 cites

  60. Structural exploration of tetrahydroisoquinoline derivatives as HDAC8 inhibitors through multi-QSAR modeling study

    Journal of Biomolecular Structure and Dynamics2020journal article

    View DOI
    18 cites

  61. Reliable structural information for rational design of benzoxazole type potential cholesteryl ester transfer protein (CETP) inhibitors through multiple validated modeling techniques

    Journal of Biomolecular Structure and Dynamics2019journal article

    View DOI
    18 cites

  62. Synthesis, anticancer activity, structure–activity relationship and binding mode of interaction studies of substituted pentanoic acids

    Future Medicinal Chemistry2019journal article

    View DOI
    18 cites

  63. Insight into the structural requirements of theophylline-based aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors through multi-QSAR modeling and molecular docking approaches

    Current Drug Discovery Technologies1970journal article

    View DOI
    18 cites

  64. Multiple molecular modelling studies on some derivatives and analogues of glutamic acid as matrix metalloproteinase-2 inhibitors

    SAR and QSAR in Environmental Research2018journal article

    View DOI
    17 cites

  65. An updated patent review of matrix metalloproteinase (MMP) inhibitors (2021-present)

    Expert Opinion on Therapeutic Patents2023journal article

    View DOI
    16 cites

  66. Robust classification-based molecular modelling of diverse chemical entities as potential SARS-CoV-2 3CLpro inhibitors: theoretical justification in light of experimental evidences

    SAR and QSAR in Environmental Research2021journal article

    View DOI
    16 cites

  67. Quantitative activity–activity relationship (QAAR) driven design to develop hydroxamate derivatives of pentanoic acids as selective HDAC8 inhibitors: synthesis, biological evaluation and binding mode of interaction studies

    New Journal of Chemistry1970journal article

    View DOI
    16 cites

  68. Exploring in house glutamate inhibitors of matrix metalloproteinase-2 through validated robust chemico-biological quantitative approaches

    Structural Chemistry1970journal article

    View DOI
    16 cites

  69. Corrigendum to “Matrix metalloproteinase-9 (MMP-9) and its inhibitors in cancer: A minireview” [Eur. J. Med. Chem. 194 (2020) 112260]

    2020

    View DOI
    15 cites

  70. Exploration of histone deacetylase 8 inhibitors through classification QSAR study: Part II

    Journal of Molecular Structure2020journal article

    View DOI
    15 cites

  71. QSAR modelling on a series of arylsulfonamide-based hydroxamates as potent MMP-2 inhibitors

    SAR and QSAR in Environmental Research2019journal article

    View DOI
    15 cites

  72. Structural refinement and prediction of potential CCR2 antagonists through validated multi-QSAR modeling studies

    Journal of Biomolecular Structure and Dynamics2019journal article

    View DOI
    15 cites

  73. Structural Insight Into the Viral 3C-Like Protease Inhibitors: Comparative SAR/QSAR Approaches

    Viral Proteases and Their Inhibitors1970book chapter

    View DOI
    15 cites

  74. Designing potential antitrypanosomal thiazol-2-ethylamines through predictive regression based and classification based QSAR analyses

    Current Drug Discovery Technologies1970journal article

    View DOI
    15 cites

  75. A combined ligand-based and structure-based in silico molecular modeling approach to pinpoint the key structural attributes of hydroxamate derivatives as promising meprin β inhibitors

    Journal of Biomolecular Structure and Dynamics2025journal article

    View DOI
    14 cites

  76. Structural findings of cinnolines as anti-schizophrenic PDE10A inhibitors through comparative chemometric modeling

    Molecular Diversity1970journal article

    View DOI
    14 cites

  77. An overview of matrix metalloproteinase-12 in multiple disease conditions, potential selective inhibitors, and drug designing strategies

    European Journal of Medicinal Chemistry2025journal article

    View DOI
    13 cites

  78. A patent review of histone deacetylase 8 (HDAC8) inhibitors (2013–present)

    Expert Opinion on Therapeutic Patents2024journal article

    View DOI
    13 cites

  79. Biphenylsulfonamides as effective MMP‐2 inhibitors with promising antileukemic efficacy: Synthesis, in vitro biological evaluation, molecular docking, and MD simulation analysis

    Drug Development Research2024journal article

    View DOI
    13 cites

  80. Derivatives of D(−) glutamine-based MMP-2 inhibitors as an effective remedy for the management of chronic myeloid leukemia-Part-I: Synthesis, biological screening and in silico binding interaction analysis

    2024

    View DOI
    13 cites

  81. Structural exploration of arylsulfonamide-based ADAM17 inhibitors through validated comparative multi-QSAR modelling studies

    Journal of Molecular Structure2019journal article

    View DOI
    13 cites

  82. Exploration of good and bad structural fingerprints for inhibition of indoleamine-2,3-dioxygenase enzyme in cancer immunotherapy using Monte Carlo optimization and Bayesian classification QSAR modeling

    Journal of Biomolecular Structure and Dynamics2019journal article

    View DOI
    13 cites

  83. The first report on predictive comparative ligand-based multi-QSAR modeling analysis of 4-pyrimidinone and 2-pyridinone based APJ inhibitors

    New Journal of Chemistry1970journal article

    View DOI
    13 cites

  84. Homoisoflavonoids as potential antiangiogenic agents for retinal neovascularization

    Biomedicine and Pharmacotherapy1970journal article

    View DOI
    13 cites

  85. Fosamprenavir and Tirofiban to combat COPD and cancer: A drug repurposing strategy integrating virtual screening, MD simulation, and DFT studies

    Journal of Molecular Graphics and Modelling2025journal article

    View DOI
    12 cites

  86. Fragment-based structural exploration and chemico-biological interaction study of HDAC3 inhibitors through non-linear pattern recognition, chemical space, and binding mode of interaction analysis

    Journal of Biomolecular Structure and Dynamics2024journal article

    View DOI
    12 cites

  87. Matrix metalloproteinase-8 (MMP-8) and its inhibitors: A minireview

    2024

    View DOI
    12 cites

  88. Applying comparative molecular modelling techniques on diverse hydroxamate-based HDAC2 inhibitors: an attempt to identify promising structural features for potent HDAC2 inhibition

    SAR and QSAR in Environmental Research2022journal article

    View DOI
    12 cites

  89. Essential elements regulating HDAC8 inhibition: a classification based structural analysis and enzyme-inhibitor interaction study of hydroxamate based HDAC8 inhibitors

    Journal of Biomolecular Structure and Dynamics2020journal article

    View DOI
    12 cites

  90. Integrating regression and classification-based QSARs with molecular docking analyses to explore the structure-antiaromatase activity relationships of letrozole-based analogs

    Canadian Journal of Chemistry2017journal article

    View DOI
    12 cites

  91. Ligand based validated comparative chemometric modeling and pharmacophore mapping of aurone derivatives as antimalarial agents

    Current Computer-Aided Drug Design1970journal article

    View DOI
    12 cites

  92. Structural findings of 2-Phenylindole-3-carbaldehyde derivatives for antimitotic activity by FA-sMLR QSAR analysis

    Chemical Biology and Drug Design1970journal article

    View DOI
    12 cites

  93. Pharmacophore modeling, 3D-QSAR, and MD simulation-based overture for the discovery of new potential HDAC1 inhibitors

    Journal of Biomolecular Structure and Dynamics2026journal article

    View DOI
    11 cites

  94. Exploring the key structural attributes and chemico-biological interactions of pyridinone-based SARS-CoV-2 3CLpro inhibitors through validated structure-based drug design strategies

    Heliyon2024journal article

    View DOI
    11 cites

  95. Fragment-based investigation of thiourea derivatives as VEGFR-2 inhibitors: a cross-validated approach of ligand-based and structure-based molecular modeling studies

    Journal of Biomolecular Structure and Dynamics2024journal article

    View DOI
    11 cites

  96. An integrated ligand-based modelling approach to explore the structure-property relationships of influenza endonuclease inhibitors

    Structural Chemistry1970journal article

    View DOI
    11 cites

  97. Chemometric modeling and pharmacophore mapping in coronary heart disease: 2-arylbenzoxazoles as cholesteryl ester transfer protein inhibitors

    MedChemComm1970journal article

    View DOI
    11 cites

  98. Synthesis, biological activity, structure activity relationship study and liposomal formulation development of some arylsulfonyl pyroglutamic acid derivatives

    Journal of Molecular Structure2022journal article

    View DOI
    10 cites

  99. An integrated QSAR modeling approach to explore the structure–property and selectivity relationships of N-benzoyl-l-biphenylalanines as integrin antagonists

    Molecular Diversity2018journal article

    View DOI
    10 cites

  100. Chemometric modeling of 5-Phenylthiophenecarboxylic acid derivatives as anti-rheumatic agents

    Current Computer-Aided Drug Design1970journal article

    View DOI
    10 cites

  101. A comparative quantitative structural assessment of benzothiazine-derived HDAC8 inhibitors by predictive ligand-based drug designing approaches

    SAR and QSAR in Environmental Research2022journal article

    View DOI
    9 cites

  102. Synthesis, Anticancer Activity, SAR and Binding Mode of Interaction Studies of Substituted Pentanoic Acids: Part II

    Future Medicinal Chemistry2022journal article

    View DOI
    9 cites

  103. A robust classification-dependent multi-molecular modelling study on some biphenyl sulphonamide based MMP-8 inhibitors

    SAR and QSAR in Environmental Research2021journal article

    View DOI
    9 cites

  104. Identification of molecular fingerprints of phenylindole derivatives as cytotoxic agents: a multi-QSAR approach

    Structural Chemistry2018journal article

    View DOI
    9 cites

  105. Employing comparative QSAR techniques for the recognition of dibenzofuran and dibenzothiophene derivatives toward MMP-12 inhibition

    Journal of Biomolecular Structure and Dynamics2024journal article

    View DOI
    8 cites

  106. Hydrazides as Potential HDAC Inhibitors: Structure-activityRelationships and Biological Implications

    2023

    View DOI
    8 cites

  107. Exploration of structural alerts and fingerprints for novel anticancer therapeutics: a robust classification-QSAR dependent structural analysis of drug-like MMP-9 inhibitors

    SAR and QSAR in Environmental Research2023journal article

    View DOI
    8 cites

  108. A quantitative structural analysis of AR-42 derivatives as HDAC1 inhibitors for the identification of promising structural contributors

    SAR and QSAR in Environmental Research2022journal article

    View DOI
    8 cites

  109. An Integrated Multi-QSAR Modeling Approach for Designing Knoevenagel- Type Indoles with Enhancing Cytotoxic Profiles

    2017

    View DOI
    8 cites

  110. Collagenases and gelatinases and their inhibitors as anticancer agents

    Cancer-Leading Proteases1970book chapter

    View DOI
    8 cites

  111. Ligand-and structure-based drug design of non-steroidal aromatase inhibitors (NSAIs) in breast cancer

    Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment1970book

    View DOI
    8 cites

  112. Derivatives of D(−)-glutamine-based MMP-2 inhibitors as an effective remedy for the management of chronic myeloid leukemia-Part-III: Synthesis, biological screening and in silico binding interaction analysis

    2024

    View DOI
    7 cites

  113. Exploring the structural aspects of ureido-amino acid-based APN inhibitors: a validated comparative multi-QSAR modelling study

    SAR and QSAR in Environmental Research2020journal article

    View DOI
    7 cites

  114. Shedding light on designing potential meprin β inhibitors through ligand-based robust validated computational approaches: A proposal to chemists!

    Journal of Biomolecular Structure and Dynamics2018journal article

    View DOI
    7 cites

  115. Design and synthesis of pyridine-based benzamides as potent HDAC3 inhibitors as an armament against breast cancer with in vivo validation

    2025

    View DOI
    6 cites

  116. Predictive Comparative QSAR Modeling of 4-Pyridones as Potent Antimalarials

    2010

    6 cites

  117. Cholesteryl ester transfer protein inhibitors in coronary heart disease: Validated comparative QSAR modeling of N, N-disubstituted trifluoro-3-amino-2-propanols

    Computers in Biology and Medicine1970journal article

    View DOI
    6 cites

  118. Exploring different classification-dependent QSAR modelling strategies for HDAC3 inhibitors in search of meaningful structural contributors

    SAR and QSAR in Environmental Research2024journal article

    View DOI
    5 cites

  119. Molecular modeling to simulation: insights into Gaussian QSAR, molecular docking, and DFT for identification of HDAC3 inhibitors for neurocognitive vascular dementia

    2025

    View DOI
    4 cites

  120. PROTAC‐Based HDAC Degradation: A Paradigm Shift in Targeted Epigenetic Therapies

    ChemMedChem2025journal article

    View DOI
    4 cites

  121. Unveiling structural components of dibenzofuran-based MMP-12 inhibitors: a comparative classification-dependent analysis with molecular docking-based virtual screening and molecular dynamics simulation

    2025

    View DOI
    4 cites

  122. Exploring crucial structural attributes of quinolinyl methoxyphenyl sulphonyl-based hydroxamate derivatives as ADAM17 inhibitors through classification-dependent molecular modelling approaches

    SAR and QSAR in Environmental Research2024journal article

    View DOI
    4 cites

  123. Development and validation of machine learning models for the prediction of SH-2 containing protein tyrosine phosphatase 2 inhibitors

    2023

    View DOI
    4 cites

  124. Dissecting the Drug Development Strategies Against SARS-CoV-2 Through Diverse Computational Modeling Techniques

    Methods in Pharmacology and Toxicology1970book chapter

    View DOI
    4 cites

  125. A fragment-based exploration of diverse MMP-9 inhibitors through classification-dependent structural assessment

    Journal of Molecular Graphics and Modelling2024journal article

    View DOI
    3 cites

  126. Structural findings of pyrazolo[1,5- a ]pyrimidine compounds for their Pim-1/2 kinase inhibition as potential anticancer agents

    2017

    3 cites

  127. Nitric Oxide Synthase (NOS) Inhibitors in Cancer Angiogenesis

    2015

    View DOI
    3 cites

  128. Exploring the effects of ROS on PI3K/AKT/mTOR signalling in pediatric low-grade glioma and therapeutic strategies

    2025

    View DOI
    2 cites

  129. 3D-QSAR Studies

    2023

    View DOI
    2 cites

  130. Methanolic seed extract of Swietenia mahagoni: Evaluation of antimicrobial, antioxidant, and in-vivo toxicity assessment in the brine shrimp model

    2023

    View DOI
    2 cites

  131. Arylcarboxamide Derivatives as Promising HDAC8 Inhibitors: An Overview in Light of Structure-activity Relationship and Binding Mode of Interaction Analysis

    Medicinal Chemistry2025journal article

    View DOI
    1 cites

  132. Exploring Structural Requirements of Diarylurea Derivatives as VEGFR-2 Inhibitors Through Comparative QSAR Modeling Study

    2020

    1 cites

  133. Integrin Antagonists: A Special Emphasis on Structural Requirements of N-benzoyl-L-biphenylalanines as α4β7 and α4β1 Antagonists

    Current Signal Transduction Therapy2018journal article

    View DOI
    1 cites

  134. First Report on the Validated Classification-Based Chemometric Modeling of Human Rhinovirus 3C Protease (HRV 3Cpro) Inhibitors

    International Journal of Quantitative Structure-Property Relationships2018journal article

    View DOI
    1 cites

  135. Epstein–Barr Virus and Treatment of Its Infection

    2014

    View DOI
    1 cites

  136. Application of Computation in the Biosynthesis of Phytochemicals

    Computational Phytochemistry1970book chapter

    View DOI
    1 cites

  137. Possible anticancer agents: synthesis, pharmacological activity, and molecular modeling studies on some 5-N-Substituted-2-N-(substituted benzenesulphonyl)-L(+)Glutamines

    Medicinal Chemistry Research1970journal article

    View DOI
    1 cites

  138. Ligand- and structure- based drug design of non- steroidal aromatase inhibitors (NSAIs) in breast cancer

    Oncology: Breakthroughs in Research and Practice1970book

    View DOI
    1 cites

  139. Phytomolecule and microbiota-modulation based therapeutic strategies for MDR-Tuberculosis: Mechanistic interplay and translational perspectives

    2025

    View DOI
    0 cites

  140. Recent advances in the design and development of small-molecule MMP-2 inhibitors

    2025

    View DOI
    0 cites

  141. A Comparative Evaluation of Cold Maceration, Soxhlation and Ultra Sound Assisted Extraction for Phytochemical Screening of Whole Plnt of Blumea Lacera(Burm.f.) Dc. Along With It’s Antibacterial Effect With Respect to Catharanthus Roseus (L.) G. Don.

    2025

    View DOI
    0 cites

  142. Deciphering the molecular and neuropathological dimensions of dementia

    2025

    View DOI
    0 cites

  143. Modeling Inhibitors of Membrane-Type MMPs

    2023

    View DOI
    0 cites

  144. Conclusion and Future Perspectives

    2023

    View DOI
    0 cites

  145. Modeling Inhibitors of Other MMPs

    2023

    View DOI
    0 cites

  146. Modeling Inhibitors of Collagenases

    2023

    View DOI
    0 cites

  147. Membrane-Type MMPs and Their Inhibitors

    2023

    View DOI
    0 cites

  148. Other MMPs and Their Inhibitors

    2023

    View DOI
    0 cites

  149. Collagenases and Their Inhibitors

    2023

    View DOI
    0 cites

  150. Stromelysins and Their Inhibitors

    2023

    View DOI
    0 cites

  151. Modeling Inhibitors of Stromelysins

    2023

    View DOI
    0 cites

  152. Matrilysin and Their Inhibitors

    2023

    View DOI
    0 cites

  153. Modeling Inhibitors of Matrilysin

    2023

    View DOI
    0 cites

  154. Synthesis, biological evaluation, and enzyme assay of some 5-N-substituted-2-N- (arylsulphonyl)-L(+)glutamines as potential anticancer agents

    2020

    View DOI
    0 cites

  155. Discriminations of active from inactive HDAC8 inhibitors Part II: Bayesian classification study to find molecular fingerprints

    SAR and QSAR in Environmental Research2020journal article

    View DOI
    0 cites

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