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Vijay H. Masand

Visva-Bharati UniversityIN
ORCID0000-0001-9300-4147
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Citations
2,092

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Publications
134

About

Vijay H. Masand is an academic researcher affiliated with Visva-Bharati University, with a research focus on quantitative structure-activity relationships (QSAR) and its applications in various fields, including medicinal chemistry, pharmacy, and pharmaceutical sciences. With over 105 publications between 1970, his work has spanned multiple areas of study, encompassing topics such as virtual screening, molecular docking, and dynamics simulations.

Research areas

  • Quantitative structure–activity relationship
  • Chemistry
  • Stereochemistry
  • Biology
  • Biochemistry

Publications (134)

Sorted by most cited.

  1. Synthesis, biological evaluation, and docking studies of 3-(substituted)-aryl-5-(9-methyl-3-carbazole)-1H-2-pyrazolines as potent anti-inflammatory and antioxidant agents

    Bioorganic and Medicinal Chemistry Letters1970journal article

    View DOI
    131 cites

  2. PyDescriptor: A new PyMOL plugin for calculating thousands of easily understandable molecular descriptors

    Chemometrics and Intelligent Laboratory Systems1970journal article

    View DOI
    125 cites

  3. Chromones: Privileged scaffold in anticancer drug discovery

    Chemical Biology and Drug Design1970journal article

    View DOI
    84 cites

  4. Synthesis, characterization, and molecular docking analysis of novel benzimidazole derivatives as cholinesterase inhibitors

    Bioorganic Chemistry1970journal article

    View DOI
    83 cites

  5. Effect of information leakage and method of splitting (rational and random) on external predictive ability and behavior of different statistical parameters of QSAR model

    Medicinal Chemistry Research1970journal article

    View DOI
    70 cites

  6. Quinazoline-tyrphostin as a new class of antitumor agents, molecular properties prediction, synthesis and biological testing

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    57 cites

  7. QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CLpro Inhibitor: GA-MLR QSAR modeling supported by molecular Docking, molecular dynamics simulation and MMGBSA calculation approaches

    Arabian Journal of Chemistry1970journal article

    View DOI
    48 cites

  8. Synthesis of α, β-unsaturated carbonyl based compounds as acetylcholinesterase and butyrylcholinesterase inhibitors: Characterization, molecular modeling, QSAR studies and effect against amyloid β-induced cytotoxicity

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    48 cites

  9. Design, synthesis, characterization and anti-inflammatory evaluation of novel pyrazole amalgamated flavones

    Bioorganic and Medicinal Chemistry Letters1970journal article

    View DOI
    47 cites

  10. Theranostics: a multifaceted approach utilizing nano-biomaterials

    Discover Nano1970journal article

    View DOI
    45 cites

  11. Identification of anti-sars-cov-2 compounds from food using qsar-based virtual screening, molecular docking, and molecular dynamics simulation analysis

    Pharmaceuticals1970journal article

    View DOI
    44 cites

  12. Tautomeric origin of dual effects of N1-nicotinoyl-3-(4′-hydroxy- 3′-methyl phenyl)-5-[(sub)phenyl]-2-pyrazolines on bacterial and viral strains: POM analyses as new efficient bioinformatics' platform to predict and optimize bioactivity of drugs

    Medicinal Chemistry Research1970journal article

    View DOI
    41 cites

  13. CoMSIA and POM analyses of anti-malarial activity of synthetic prodiginines

    Bioorganic and Medicinal Chemistry Letters1970journal article

    View DOI
    41 cites

  14. QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads

    Molecules1970journal article

    View DOI
    40 cites

  15. QSAR study of anti-Human African Trypanosomiasis activity for 2-phenylimidazopyridines derivatives using DFT and Lipinski's descriptors

    Heliyon1970journal article

    View DOI
    40 cites

  16. Synthesis, molecular modeling, and biological evaluation of novel 1, 3-diphenyl-2-propen-1-one based pyrazolines as anti-inflammatory agents

    Chemical Biology and Drug Design1970journal article

    View DOI
    37 cites

  17. QSAR modeling for anti-human African trypanosomiasis activity of substituted 2-Phenylimidazopyridines

    Journal of Molecular Structure1970journal article

    View DOI
    36 cites

  18. Multiple quantitative structure-activity relationships (QSARs) analysis for orally active trypanocidal N-myristoyltransferase inhibitors

    Journal of Molecular Structure1970journal article

    View DOI
    34 cites

  19. Integrating GUSAR and QSAR analyses for antimalarial activity of synthetic prodiginines against multi drug resistant strain

    Medicinal Chemistry Research1970journal article

    View DOI
    32 cites

  20. Identification of potential edible mushroom as SARS-CoV-2 main protease inhibitor using rational drug designing approach

    Scientific Reports1970journal article

    View DOI
    29 cites

  21. Repurposing food molecules as a potential BACE1 inhibitor for Alzheimer’s disease

    Frontiers in Aging Neuroscience1970journal article

    View DOI
    29 cites

  22. Synthesis and Evaluation of Some New 4H-Pyran Derivatives as Antioxidant, Antibacterial and Anti-HCT-116 Cells of CRC, with Molecular Docking, Antiproliferative, Apoptotic and ADME Investigations

    Pharmaceuticals1970journal article

    View DOI
    29 cites

  23. Does tautomerism influence the outcome of QSAR modeling?

    Medicinal Chemistry Research1970journal article

    View DOI
    28 cites

  24. Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches: Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents

    Saudi Pharmaceutical Journal1970journal article

    View DOI
    27 cites

  25. Extending the identification of structural features responsible for anti-SARS-CoV activity of peptide-type compounds using QSAR modelling

    SAR and QSAR in Environmental Research1970journal article

    View DOI
    27 cites

  26. Optimization of antiproliferative activity of substituted phenyl 4-(2-oxoimidazolidin-1-yl) benzenesulfonates: QSAR and CoMFA analyses

    European Journal of Pharmaceutical Sciences1970journal article

    View DOI
    26 cites

  27. Tautomerism and multiple modelling enhance the efficacy of QSAR: Antimalarial activity of phosphoramidate and phosphorothioamidate analogues of amiprophos methyl

    Medicinal Chemistry Research1970journal article

    View DOI
    26 cites

  28. Molecular drug design, synthesis and pharmacophore site identification of spiroheterocyclic compounds: Trypanosoma crusi inhibiting studies

    Medicinal Chemistry Research1970journal article

    View DOI
    26 cites

  29. Design of novel amyloid β aggregation inhibitors using QSAR, pharmacophore modeling, molecular docking and ADME prediction

    2018

    View DOI
    25 cites

  30. Optimization of Antimalarial Activity of Synthetic Prodiginines: QSAR, GUSAR, and CoMFA analyses

    Chemical Biology and Drug Design1970journal article

    View DOI
    25 cites

  31. Estrogen Receptor Alpha Binders for Hormone-Dependent Forms of Breast Cancer: e-QSAR and Molecular Docking Supported by X-ray Resolved Structures

    ACS Omega1970journal article

    View DOI
    22 cites

  32. 3D-QSAR and docking studies on adenosine A2A receptor antagonists by the CoMFA method

    SAR and QSAR in Environmental Research1970journal article

    View DOI
    22 cites

  33. Molecular docking and QSAR analyses for understanding the antimalarial activity of some 7-substituted-4-aminoquinoline derivatives

    European Journal of Pharmaceutical Sciences1970journal article

    View DOI
    21 cites

  34. QSAR models for anti-malarial activity of 4-aminoquinolines

    Current Computer-Aided Drug Design1970journal article

    View DOI
    20 cites

  35. QSAR and CoMFA studies of biphenyl analogs of the anti-tuberculosis drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo [2,1-b][1,3]oxazine (PA-824)

    Medicinal Chemistry Research1970journal article

    View DOI
    20 cites

  36. Quantitative structure–activity relationships (QSARs) and pharmacophore modeling for human African trypanosomiasis (HAT) activity of pyridyl benzamides and 3-(oxazolo[4,5-b]pyridin-2-yl)anilides

    Medicinal Chemistry Research1970journal article

    View DOI
    19 cites

  37. Synthesis and Characterization of Some New Quinoxalin-2(1H)one and 2-Methyl-3H-quinazolin-4-one Derivatives Targeting the Onset and Progression of CRC with SAR, Molecular Docking, and ADMET Analyses

    Molecules1970journal article

    View DOI
    19 cites

  38. Multiple QSAR models, pharmacophore pattern and molecular docking analysis for anticancer activity of α, β-unsaturated carbonyl-based compounds, oxime and oxime ether analogues

    Journal of Molecular Structure1970journal article

    View DOI
    19 cites

  39. Identification of Food Compounds as inhibitors of SARS-CoV-2 main protease using molecular docking and molecular dynamics simulations

    Chemometrics and Intelligent Laboratory Systems1970journal article

    View DOI
    18 cites

  40. Schiff base metal complexes precursor for metal oxide nanomaterials: A review

    Current Nanoscience1970journal article

    View DOI
    18 cites

  41. QSAR analysis for 6-arylpyrazine-2-carboxamides as Trypanosoma brucei inhibitors

    SAR and QSAR in Environmental Research1970journal article

    View DOI
    18 cites

  42. Synthesis, antiphospholipase A2, antiprotease, antibacterial evaluation and molecular docking analysis of certain novel hydrazones

    Molecules1970journal article

    View DOI
    17 cites

  43. POM analyses of Raltegravir derivatives: A new reflection enlightening the mechanism of HIV-integrase inhibition

    Research on Chemical Intermediates1970journal article

    View DOI
    17 cites

  44. Quinoxalinones Based Aldose Reductase Inhibitors: 2D and 3D-QSAR Analysis

    Molecular Informatics1970journal article

    View DOI
    16 cites

  45. QSAR and pharmacophore modeling of nitrogen heterocycles as potent human N-myristoyltransferase (Hs-NMT) inhibitors

    Molecules1970journal article

    View DOI
    16 cites

  46. k-NN, quantum mechanical and field similarity based analysis of xanthone derivatives as α-glucosidase inhibitors

    Medicinal Chemistry Research1970journal article

    View DOI
    16 cites

  47. POM as Efficient Tools to Predict and Improve Both Antibacterial and Antifungal Activity of Aryl Aldazines

    2011

    14 cites

  48. Discovery of rimonabant and its potential analogues as anti-TB drug candidates

    Medicinal Chemistry Research1970journal article

    View DOI
    14 cites

  49. Computational POM and 3D-QSAR evaluation of experimental in vitro HIV-1-Integrase inhibition of amide-containing diketoacids

    Medicinal Chemistry Research1970journal article

    View DOI
    14 cites

  50. QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA

    Molecules1970journal article

    View DOI
    13 cites

  51. Identification of concealed structural alerts using QSTR modeling for Pseudokirchneriella subcapitata

    Aquatic Toxicology1970journal article

    View DOI
    13 cites

  52. Molecular docking and quantitative structure-activity relationship (QSAR) analyses of indolylarylsulfones as HIV-1 non-nucleoside reverse transcriptase inhibitors

    Medicinal Chemistry Research1970journal article

    View DOI
    13 cites

  53. Quantitative relationships between structure and lipophilicity of naturally occurring polyphenols.

    2013

    12 cites

  54. Balanced QSAR analysis to identify the structural requirements of ABBV-075 (Mivebresib) analogues as bromodomain and extraterminal domain (BET) family bromodomain inhibitor

    Journal of Molecular Structure1970journal article

    View DOI
    12 cites

  55. Virtual Screening Techniques to Probe the Antimalarial Activity of some Traditionally Used Phytochemicals

    2016

    View DOI
    11 cites

  56. Computational strategies to explore antimalarial thiazine alkaloid lead compounds based on an Australian marine sponge Plakortis Lita

    Journal of Biomolecular Structure and Dynamics1970journal article

    View DOI
    11 cites

  57. QSAR analysis for antioxidant activity of dipicolinic acid derivatives

    Combinatorial Chemistry and High Throughput Screening1970journal article

    View DOI
    10 cites

  58. The Role of Artificial Neural Networks on Target Validation in Drug Discovery and Development

    Artificial Neural Network for Drug Design, Delivery and Disposition1970book chapter

    View DOI
    10 cites

  59. POM as a quick bioinformatic platform to select flavonoids and their metabolites as potential and efficient HIV-1 integrase inhibitors

    Research on Chemical Intermediates1970journal article

    View DOI
    10 cites

  60. Pyrazole-based N-phenyl pyrazolines: Synthesis, docking, and pharmacological evaluation

    Results in Chemistry1970journal article

    View DOI
    9 cites

  61. Magnetic solid phase extraction of Sunitinib malate in urine samples assisted with mixed hemimicelle and spectrophotometric detection

    Scientific Reports1970journal article

    View DOI
    9 cites

  62. Mesoporous Silica Modified with 2-Phenylimidazo[1,2-a] pyridine-3-carbaldehyde as an Effective Adsorbent for Cu(II) from Aqueous Solutions: A Combined Experimental and Theoretical Study

    Molecules1970journal article

    View DOI
    9 cites

  63. Antiinflammatory activity of triazine thiazolidinone derivatives: Molecular docking and pharmacophore modelling

    Indian Journal of Pharmaceutical Sciences1970journal article

    View DOI
    9 cites

  64. POM analyses of antitrypanosomal activity of 2-iminobenzimidazoles: Favorable and unfavorable parameters for drugs optimization

    Medicinal Chemistry Research1970journal article

    View DOI
    9 cites

  65. 3D-QSAR studies on xanthone derivatives to understand pharmacological activities as MAO inhibitors.

    2010

    8 cites

  66. Synthesis, in silico studies and in vitro cytotoxicity evaluation of novel posaconazole derivative as a ALK TK inhibitor

    Journal of Taibah University for Science1970journal article

    View DOI
    8 cites

  67. Quinoline Derivatives with Different Functional Groups: Evaluation of Their Catecholase Activity

    Catalysts1970journal article

    View DOI
    8 cites

  68. Mechanistic and predictive qsar analysis of diverse molecules to capture salient and hidden pharmacophores for anti‐thrombotic activity

    International Journal of Molecular Sciences1970journal article

    View DOI
    8 cites

  69. Structural, spectroscopic and O–H⋯O hydrogen bonding interaction on monomer and dimer form of hydroxy phenoxy acetic acid derivatives by experimental and computational techniques

    Journal of Molecular Structure1970journal article

    View DOI
    8 cites

  70. Synthesis, characterization, bioactivity, and POM analyses of isothiochromeno[3,4-e][1,2]oxazines

    Medicinal Chemistry Research1970journal article

    View DOI
    8 cites

  71. Exploration of 3,6-dihydroimidazo(4,5-d)pyrrolo(2,3-b)pyridin-2(1H)-one derivatives as JAK inhibitors using various in silico techniques

    2017

    View DOI
    7 cites

  72. Perceiving the Concealed and Unreported Pharmacophoric Features of the 5-Hydroxytryptamine Receptor Using Balanced QSAR Analysis

    Pharmaceuticals1970journal article

    View DOI
    7 cites

  73. Synthesis, X-ray diffraction, thermogravimetric and DFT analyses of pyrimidine derivatives

    Molecules1970journal article

    View DOI
    7 cites

  74. Synthesis, molecular modelling, and biological evaluation of novel quinoxaline derivatives for treating type II diabetes

    Journal of Enzyme Inhibition and Medicinal Chemistry1970journal article

    View DOI
    6 cites

  75. Exploring the Prominent and Concealed Inhibitory Features for Cytoplasmic Isoforms of Hsp90 Using QSAR Analysis

    Pharmaceuticals1970journal article

    View DOI
    6 cites

  76. Pharmacophore Synergism in Diverse Scaffold Clinches in Aurora Kinase B

    International Journal of Molecular Sciences1970journal article

    View DOI
    6 cites

  77. Molecular structure investigation and biological evaluation of Michael adducts derived from dimedone

    Research on Chemical Intermediates1970journal article

    View DOI
    6 cites

  78. QSAR of antitrypanosomal activities of polyphenols and their analogues using multiple linear regression and artificial neural networks

    Combinatorial Chemistry and High Throughput Screening1970journal article

    View DOI
    6 cites

  79. Analyzing Oxygen Atom Distribution in FDA-Approved Drugs to Enhance Drug Discovery Strategies

    Chemical Biology and Drug Design1970journal article

    View DOI
    5 cites

  80. e-QSAR (Explainable AI-QSAR), molecular docking, and ADMET analysis of structurally diverse GSK3-beta modulators to identify concealed modulatory features vindicated by X-ray

    Computational Biology and Chemistry1970journal article

    View DOI
    5 cites

  81. GA-XGBoost, an explainable AI technique, for analysis of thrombin inhibitory activity of diverse pool of molecules and supported by X-ray

    Chemometrics and Intelligent Laboratory Systems1970journal article

    View DOI
    5 cites

  82. Multi-Target In-Silico modeling strategies to discover novel angiotensin converting enzyme and neprilysin dual inhibitors

    Scientific Reports1970journal article

    View DOI
    5 cites

  83. Synthesis and Biological Evaluation of Some New 3-Aryl-2-thioxo-2,3-dihydroquinazolin-4(1H)-ones and 3-Aryl-2-(benzylthio)quinazolin-4(3H)-ones as Antioxidants; COX-2, LDHA, α-Glucosidase and α-Amylase Inhibitors; and Anti-Colon Carcinoma and Apoptosis-Inducing Agents

    Pharmaceuticals1970journal article

    View DOI
    5 cites

  84. Antimycobacterial activity and in silico study of highly functionalised dispiropyrrolidines

    Medicinal Chemistry Research1970journal article

    View DOI
    5 cites

  85. Identification of HIV-1 Reverse Transcriptase-Associated Ribonuclease H Inhibitors Based on 2-Hydroxy-1,4-naphthoquinone Mannich Bases

    Molecules1970journal article

    View DOI
    4 cites

  86. Design, synthesis, docking studies and biological screening of 2-pyrimidinyl-2, 3-dihydro-1H-naphtho [1, 2-e][1, 3] oxazines as potent tubulin polymerization inhibitors

    Journal of Biomolecular Structure and Dynamics1970journal article

    View DOI
    4 cites

  87. Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and in-vitro evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor

    Journal of Biomolecular Structure and Dynamics1970journal article

    View DOI
    4 cites

  88. Mechanistic Analysis of Chemically Diverse Bromodomain-4 Inhibitors Using Balanced QSAR Analysis and Supported by X-ray Resolved Crystal Structures

    Pharmaceuticals1970journal article

    View DOI
    4 cites

  89. Quantitative structure–activity relationship evaluation of MDA-MB-231 cell anti-proliferative leads

    Molecules1970journal article

    View DOI
    4 cites

  90. Identification of prodigious and under-privileged structural features for RG7834 analogs as Hepatitis B virus expression inhibitor

    Medicinal Chemistry Research1970journal article

    View DOI
    4 cites

  91. Synthesis of 1,3,4-thiadiazole Derivative Using Appropriate Reaction Conditions

    2022

    View DOI
    3 cites

  92. Phytochemical investigations of Dioscorea bulbifera linn

    2015

    3 cites

  93. Molecular docking and 3D QSAR studies of quinoxaline derivatives as potential influenza NS1A protein inhibitors

    2011

    3 cites

  94. Application of in-silico drug discovery techniques to discover a novel hit for targetspecific inhibition of SARS-CoV-2 Mpro's revealed allosteric binding with MAO-B receptor: A theoretical study to find a cure for post-covid neurological disorder

    PLoS ONE1970journal article

    View DOI
    3 cites

  95. A Capstone Review on Synthetic Methods and Applications of Schiffs Bases

    2022

    View DOI
    2 cites

  96. Unveiling dynamics of nitrogen content and selected nitrogen heterocycles in thrombin inhibitors: a ceteris paribus approach

    Expert Opinion on Drug Discovery1970journal article

    View DOI
    2 cites

  97. Methoxy Substituted Furan Chalcones: An Insight Into Anti‐Inflammatory, Antioxidant, Antidiabetic, Antibacterial, and Molecular Docking Studies

    2026

    View DOI
    1 cites

  98. Synthesis of Antimicrobial and Anti-inflammatory Active Triazine Thiazolidinone Derivatives

    2020

    1 cites

  99. Determination of Optimum Values of Descriptors to Set Filters for Synthetic Tri-Pyrrole Derivatives (Prodiginines) Against Multi Drug Resistant Strain of <i>Plasmodium Falciparum</i>

    2014

    View DOI
    1 cites

  100. Identification of pharmacophore synergism for optimization of estrogen receptor beta binders for hormone dependent forms of breast cancer

    Chemical Physics Impact1970journal article

    View DOI
    1 cites

  101. Structure features of peptide-type SARS-CoV main protease inhibitors: Quantitative structure activity relationship study

    Chemometrics and Intelligent Laboratory Systems1970journal article

    View DOI
    1 cites

  102. Free and Open Source Chemistry Software in Research of Quantitative Structure-Toxicity Relationship of Pesticides

    MATEC Web of Conferences1970conference paper

    View DOI
    1 cites

  103. Kinome analysis of Madurella mycetomatis identified kinases in the cell wall integrity pathway as novel potential therapeutic drug targets in eumycetoma caused by Madurella mycetomatis

    2025

    View DOI
    0 cites

  104. Study of Pharmacophoric Consensus Pattern for Benzoic Acid Derivatives of 1,3,4-Thiadiazole As Antibacterial Agent

    2023

    View DOI
    0 cites

  105. List of contributors

    2022

    View DOI
    0 cites

  106. Ružička days : International conference 18th Ružička Days "Today Science - Tomorrow Industry" : Proceedings

    2021

    0 cites

  107. Quantum mechanical and pharmacophore analyses of transition metal complexes of N-(5-bromo-2-hydroxyacetophenone)-N’-(2-hydroxyacetophenone)-2,6-diaminopyridine

    2020

    0 cites

  108. Consensus Pharmacophore Modeling Analysis for Human Cellular Cytotoxicity (Hepg2) Activity of 2-Anilino 4-Amino Substituted Quinazolines.

    2019

    View DOI
    0 cites

  109. Consensus Pharmacophore identification for antimycobacterial DprE1 inhibitory activity of substituted hydantoins.

    2019

    View DOI
    0 cites

  110. In Silico Analysis for Anti-Malarial Activity of 2-Anilino 4-Amino Substituted Quinazolines.

    2019

    View DOI
    0 cites

  111. Advances in QSAR analysis of anti-trypanosomal activity

    2017

    0 cites

  112. Application a New PyMOL Plugin in Quantitative Structure-Toxicity Relationship Study of Pesticides

    2017

    0 cites

  113. QSAR MODELING FOR TOXICITY OF PESTICIDES TO AQUATIC ORGANISMS USING EASILY INTERPRETABLE DESCRIPTORS

    2016

    0 cites

  114. Contributors

    2016

    View DOI
    0 cites

  115. Studies of relative and specific viscosities of Aceclofenacin 70% Dioxane water mixture at different temperature

    2015

    0 cites

  116. STUDIES OF ULTRASONIC AND VISCOMETRIC BEHAVIOR OF AZITHROMYCIN WITH DIFFERENT SOLVENT SYSTEMS DIOXANE-WATER AND METHANOL-WATER MIXTURE AT 305.15 K

    2015

    0 cites

  117. STUDIES OF ACOUSTIC BEHAVIOR OF 3-(2-BENZIMIDAZOL)-3-NITRO-6-METHYL- CHROMEN-4-ONE (BNMC) IN A DIFFERENT SOLVENTS SYSTEM BY USING ULTRASONIC INTERFEROMETER

    2014

    0 cites

  118. Presuming the Probable Anti-inflammatory Mechanism of Arganins derivatives and Ursolic Acid: Plant Derived Pentacyclic Triterpenoids, Using MOE Molecular Docking and POM Virtual Screening

    2014

    0 cites

  119. PyDescriptorC*: A Descriptor Calculation Tool for Decoding Chirality Cliffs and Revealing Hidden Patterns in Drug Discovery

    Chemrxiv1970other

    View DOI
    0 cites

  120. Correction to: Multi-Target In-Silico modeling strategies to discover novel angiotensin converting enzyme and neprilysin dual inhibitors (Scientific Reports, (2024), 14, 1, (15991), 10.1038/s41598-024-66230-7)

    Scientific Reports1970journal article

    View DOI
    0 cites

  121. In silico study to recognize novel angiotensin-converting-enzyme-I inhibitors by 2D-QSAR and constraint-based molecular simulations

    Journal of Biomolecular Structure and Dynamics1970journal article

    View DOI
    0 cites

  122. Leveraging nitrogen occurrence in approved drugs to identify structural patterns

    Expert Opinion on Drug Discovery1970journal article

    View DOI
    0 cites

  123. QSAR modeling approaches to identify a novel ACE2 inhibitor that selectively bind with the C and N terminals of the ectodomain

    Journal of Biomolecular Structure and Dynamics1970journal article

    View DOI
    0 cites

  124. Metal oxide composites in organic transformations

    Advances in Metal Oxides and their Composites for Emerging Applications1970book chapter

    View DOI
    0 cites

  125. QSAR analysis of sodium glucose co–transporter 2 (SGLT2) inhibitors for anti-hyperglycaemic lead development

    SAR and QSAR in Environmental Research1970journal article

    View DOI
    0 cites

  126. Structure features of peptide-type SARS-CoV main protease inhibitors: Quantitative Structure Activity Relationship study

    ChemRxiv1970other

    View DOI
    0 cites

  127. Synthesis of Antimicrobial and Anti-inflammatory Active Triazine Thiazolidinone Derivatives

    SSRN1970other

    0 cites

  128. Synthesis and evaluation of compounds containing 4-arylpiperazinyl moieties linked to a 2-(pyridin-3-yl)-1H-benzimidazole as p38 MAP kinase inhibitors

    Letters in Drug Design and Discovery1970journal article

    View DOI
    0 cites

  129. Computational POM and DFT evaluation of experimental in-vitro cancer inhibition of staurosporine-ruthenium(II) complexes: The power force of organometallics in drug design

    Acta Chimica Slovenica1970journal article

    View DOI
    0 cites

  130. Quantitative relationships between structure and lipophilicity of naturally occurring polyphenols

    Acta Chimica Slovenica1970journal article

    0 cites

  131. Study on physicochemical properties of vegetable oils and their blends use as possible ecological lubricant

    Journal of Chemical and Pharmaceutical Research1970journal article

    0 cites

  132. General unrestricted structure activity relationships based evaluation of quinoxaline derivatives as potential influenza NS1A protein inhibitors

    Der Pharma Chemica1970journal article

    0 cites

  133. Studies in influence of ionic strength of medium on the complex equilibria of substituted hydoxy-1-3-propandiones with Cr(III) and La(III) metal ions ph metrically

    Der Pharma Chemica1970journal article

    0 cites

  134. Synthesis of some new condensation products of 1-hydroxy-9H-xanthen-9-one

    Indian Journal of Heterocyclic Chemistry1970journal article

    0 cites