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Vijay H. Masand

Visva-Bharati UniversityIN
ORCID0000-0001-9300-4147
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Citations
2,071

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Publications
105

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 (105)

Sorted by most cited.

  1. 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

  2. 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

  3. 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
    39 cites

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

    Journal of Molecular Structure1970journal article

    View DOI
    35 cites

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

    Journal of Molecular Structure1970journal article

    View DOI
    33 cites

  6. Does tautomerism influence the outcome of QSAR modeling?

    Medicinal Chemistry Research1970journal article

    View DOI
    28 cites

  7. 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

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    27 cites

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

    European Journal of Pharmaceutical Sciences1970journal article

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    21 cites

  9. 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

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    19 cites

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

    Molecular Informatics1970journal article

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    16 cites

  11. 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

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

    Pharmaceuticals1970journal article

    View DOI
    7 cites

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

    Molecules1970journal article

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    0 cites

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

    Chemical Biology and Drug Design1970journal article

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    0 cites

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

    Chemical Physics Impact1970journal article

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    0 cites

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

    Chemrxiv1970other

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    0 cites

  17. 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

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    0 cites

  18. 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

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    0 cites

  19. 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

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    0 cites

  20. 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

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    0 cites

  21. 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

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    0 cites

  22. 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

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    0 cites

  23. 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

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    0 cites

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

    Expert Opinion on Drug Discovery1970journal article

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    0 cites

  25. 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

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    0 cites

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

    Scientific Reports1970journal article

    View DOI
    0 cites

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

    Results in Chemistry1970journal article

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    0 cites

  28. 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

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    0 cites

  29. 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

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    0 cites

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

    Journal of Enzyme Inhibition and Medicinal Chemistry1970journal article

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    0 cites

  31. Theranostics: a multifaceted approach utilizing nano-biomaterials

    Discover Nano1970journal article

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    0 cites

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

    Expert Opinion on Drug Discovery1970journal article

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    0 cites

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

    Scientific Reports1970journal article

    View DOI
    0 cites

  34. 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

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    0 cites

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

    Pharmaceuticals1970journal article

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    0 cites

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

    Scientific Reports1970journal article

    View DOI
    0 cites

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

    Pharmaceuticals1970journal article

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    0 cites

  38. 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

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    0 cites

  39. Metal oxide composites in organic transformations

    Advances in Metal Oxides and their Composites for Emerging Applications1970book chapter

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    0 cites

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

    International Journal of Molecular Sciences1970journal article

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    0 cites

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

    Catalysts1970journal article

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    0 cites

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

    Frontiers in Aging Neuroscience1970journal article

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    0 cites

  43. 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
    0 cites

  44. 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

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    0 cites

  45. Chromones: Privileged scaffold in anticancer drug discovery

    Chemical Biology and Drug Design1970journal article

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    0 cites

  46. 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

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    0 cites

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

    Aquatic Toxicology1970journal article

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    0 cites

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

    International Journal of Molecular Sciences1970journal article

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    0 cites

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

    SAR and QSAR in Environmental Research1970journal article

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    0 cites

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

    Molecules1970journal article

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    0 cites

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

    Molecules1970journal article

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    0 cites

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

    Current Nanoscience1970journal article

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    0 cites

  53. 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

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    0 cites

  54. 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

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    0 cites

  55. 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

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    0 cites

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

    ChemRxiv1970other

    View DOI
    0 cites

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

    Chemometrics and Intelligent Laboratory Systems1970journal article

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    0 cites

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

    SSRN1970other

    0 cites

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

    Indian Journal of Pharmaceutical Sciences1970journal article

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    0 cites

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

    Medicinal Chemistry Research1970journal article

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    0 cites

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

    Heliyon1970journal article

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    0 cites

  62. 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

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    0 cites

  63. QSAR analysis for antioxidant activity of dipicolinic acid derivatives

    Combinatorial Chemistry and High Throughput Screening1970journal article

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    0 cites

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

    Journal of Biomolecular Structure and Dynamics1970journal article

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    0 cites

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

    MATEC Web of Conferences1970conference paper

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    0 cites

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

    Chemometrics and Intelligent Laboratory Systems1970journal article

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    0 cites

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

    SAR and QSAR in Environmental Research1970journal article

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    0 cites

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

    Research on Chemical Intermediates1970journal article

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    0 cites

  69. 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

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    0 cites

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

    Molecules1970journal article

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    0 cites

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

    Artificial Neural Network for Drug Design, Delivery and Disposition1970book chapter

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    0 cites

  72. 3D-QSAR and docking studies on adenosine A2A receptor antagonists by the CoMFA method

    SAR and QSAR in Environmental Research1970journal article

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    0 cites

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

    Medicinal Chemistry Research1970journal article

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    0 cites

  74. 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

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    0 cites

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

    Medicinal Chemistry Research1970journal article

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    0 cites

  76. 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

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    0 cites

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

    European Journal of Pharmaceutical Sciences1970journal article

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    0 cites

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

    Research on Chemical Intermediates1970journal article

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    0 cites

  79. 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

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    0 cites

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

    Medicinal Chemistry Research1970journal article

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    0 cites

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

    Current Computer-Aided Drug Design1970journal article

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    0 cites

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

    Combinatorial Chemistry and High Throughput Screening1970journal article

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    0 cites

  83. 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

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    0 cites

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

    Molecules1970journal article

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    0 cites

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

    Medicinal Chemistry Research1970journal article

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    0 cites

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

    Medicinal Chemistry Research1970journal article

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    0 cites

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

    Bioorganic and Medicinal Chemistry Letters1970journal article

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    0 cites

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

    Medicinal Chemistry Research1970journal article

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    0 cites

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

    Medicinal Chemistry Research1970journal article

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    0 cites

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

    Chemical Biology and Drug Design1970journal article

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

    Medicinal Chemistry Research1970journal article

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    0 cites

  92. 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

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    0 cites

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

    Acta Chimica Slovenica1970journal article

    0 cites

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

    Bioorganic Chemistry1970journal article

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    0 cites

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

    Medicinal Chemistry Research1970journal article

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    0 cites

  96. 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

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    0 cites

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

    Bioorganic and Medicinal Chemistry Letters1970journal article

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    0 cites

  98. 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

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    0 cites

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

    European Journal of Medicinal Chemistry1970journal article

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    0 cites

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

    Journal of Chemical and Pharmaceutical Research1970journal article

    0 cites

  101. 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

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    0 cites

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

    Medicinal Chemistry Research1970journal article

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    0 cites

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

    Der Pharma Chemica1970journal article

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  104. 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

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

    Indian Journal of Heterocyclic Chemistry1970journal article

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