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Partha Pratim Roy

Guru Ghasidas UniversityIN
ORCID0000-0003-2357-3234
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29

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Citations
4,790

via OpenAlex

Publications
57

About

Partha Pratim Roy is a researcher affiliated with Guru Ghasidas University. Over the course of his career, spanning from 1970 to 2026, he has published 57 research papers. His work focuses on quantitative structure-activity relationship (QSAR) studies and molecular modeling, with applications in various fields including environmental science, pharmaceuticals, and biomedicine.

Research areas

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

Publications (57)

Sorted by most cited.

  1. QSAR studies of CYP2D6 inhibitor aryloxypropanolamines using 2D and 3D descriptors

    Chemical Biology and Drug Design1970journal article

    View DOI
    86 cites

  2. Molecular docking and QSAR studies of aromatase inhibitor androstenedione derivatives

    Journal of Pharmacy and Pharmacology1970journal article

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    42 cites

  3. QSPR of the bioconcentration factors of non-ionic organic compounds in fish using extended topochemical atom (ETA) indices

    SAR and QSAR in Environmental Research1970journal article

    View DOI
    37 cites

  4. Exploring QSAR for CYP11B2 binding affinity and CYP11B2/CYP11B1 selectivity of diverse functional compounds using GFA and G/PLS techniques

    Journal of Enzyme Inhibition and Medicinal Chemistry1970journal article

    View DOI
    8 cites

  5. Soil degradation toxicity potential (DT50) of VPs followed by biodegradability and leaching: Exploration of possible aquatic and terrestrial component toxicity through QSAR, q-RASAR, and comprehensive screening

    Environmental Science and Pollution Research2026journal article

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    0 cites

  6. A comprehensive review on azole-based hydroxamic acid analogs as histone deacetylases (HDACs) inhibitors

    Future Medicinal Chemistry2026journal article

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    0 cites

  7. 1,3,4‐Thiadiazole Derivatives as VEGFR‐2 Inhibitors and Its Molecular Insight for Cancer Therapy

    Chemistry & Biodiversity2025journal article

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    0 cites

  8. Design and combinatorial library generation of azole derivatives as anticancer agents: QSAR, molecular docking and dynamic approach

    Letters in Drug Design & Discovery2025journal article

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    0 cites

  9. A computational-based search of natural product derived multi-target ligands for the management of Alzheimer’s and Parkinson’s disease using structure-based pharmacophore modelling, virtual screening, MD docking, free energy analysis, ADMET profiling and DFT studies

    SAR and QSAR in Environmental Research2025journal article

    View DOI
    0 cites

  10. QSAR, q-RASAR and intelligent consensus-based predictions of agrochemicals for Tomato (Solanum lycopersicum) phytotoxicity: risk assessment, food safety and sustainability

    Toxicology and Environmental Health Sciences2025journal article

    View DOI
    0 cites

  11. Discovery of novel 1,3,4-oxadiazole derivatives as anticancer agents targeting thymidine phosphorylase: pharmacophore modelling, virtual screening, molecular docking, ADMET and DFT analysis

    SAR and QSAR in Environmental Research2025journal article

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    0 cites

  12. Exploring QSTR and q-RASTR modeling of agrochemical toxicity on cabbage for environmental safety and human health

    Environmental Science and Pollution Research2025journal article

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    0 cites

  13. Unveiling the interspecies correlation and sensitivity factor analysis of rat and mouse acute oral toxicity of antimicrobial agents: first QSTR and QTTR Modeling report

    Toxicology Research2024journal article

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    0 cites

  14. 1,3,4-Oxadiazole: An Emerging Scaffold to Inhibit the Thymidine Phosphorylase as an Anticancer Agent

    Current Medicinal Chemistry2024journal article

    View DOI
    0 cites

  15. Integrated predictive QSAR, Read Across, and q-RASAR analysis for diverse agrochemical phytotoxicity in oat and corn: A consensus-based approach for risk assessment and prioritization

    Environmental Science and Pollution Research2024journal article

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    0 cites

  16. In silico soil degradation and ecotoxicity analysis of veterinary pharmaceuticals on terrestrial species: first report

    Toxicology Research2024journal article

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    0 cites

  17. In silico selectivity modeling of pyridine and pyrimidine based CYP11B1 and CYP11B2 inhibitors: A case study

    Journal of Molecular Graphics and Modelling2022journal article

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    0 cites

  18. Pharmacophore based virtual screening of cholinesterase inhibitors: search of new potential drug candidates as antialzheimer agents

    In Silico Pharmacology2022journal article

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    0 cites

  19. Aquatic toxicity prediction of diverse pesticides on two algal species using QSTR modeling approach

    Environmental Science and Pollution Research2022journal article

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    0 cites

  20. In silico local QSAR modeling of bioconcentration factor of organophosphate pesticides

    In Silico Pharmacology2021journal article

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    0 cites

  21. Predictive classification-based QSTR models for toxicity study of diverse pesticides on multiple avian species

    Environmental Science and Pollution Research2021journal article

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    0 cites

  22. Exploring QSAR of Some Antitubercular Agents

    2017

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    0 cites

  23. Rhodamine and functionalised azobenzene condensed fluorescent turn on novel receptor for the selective and sensitive detection of Hg2+: a combined experimental and theoretical study

    RSC Advances1970journal article

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    0 cites

  24. Acute Rat and Mouse Oral Toxicity Determination of Anticholinesterase Inhibitor Carbamate Pesticides: A QSTR Approach

    Molecular Informatics1970journal article

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    0 cites

  25. Quantitative structure-activity relationship and combinatorial design of 1,3,4-oxadiazolebased thymidine phosphorylase inhibitors as potential anti-cancer agents

    Current Science1970journal article

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    0 cites

  26. Synthesis, thymidine phosphorylase inhibitory and computational study of novel 1,3,4-oxadiazole-2-thione derivatives as potential anticancer agents

    Computational Biology and Chemistry1970journal article

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    0 cites

  27. 1,3,4-oxadiazoles as telomerase inhibitor: Potential anticancer agents

    Anti-Cancer Agents in Medicinal Chemistry1970journal article

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    0 cites

  28. Intercatenated Coordination Polymers (ICPs) of Carboxylato Bridged Zn(II)-Isoniazid and Their Electrical Conductivity

    Crystal Growth and Design1970journal article

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    0 cites

  29. Synthesis and evaluation of anticancer activity of 1, 3, 4-oxadiazole derivatives against ehrlich ascites carcinoma bearing mice and their correlation with histopathology of liver

    Indian Journal of Pharmaceutical Education and Research1970journal article

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    0 cites

  30. Exploring the QSAR analysis of imidazole-4, 5- and pyrazine-2,3-dicarboxamides derivatives using online available resources

    Letters in Drug Design and Discovery1970journal article

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    0 cites

  31. 1,3,4-Oxadiazoles: An emerging scaffold to target growth factors, enzymes and kinases as anticancer agents

    European Journal of Medicinal Chemistry1970journal article

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    0 cites

  32. Application of GFA-MLR and G/PLS techniques in QSAR/QSPR studies with application in medicinal chemistry and predictive toxicology

    Handbook of Genetic Programming Applications1970book chapter

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    0 cites

  33. Combined experimental and in silico approaches for exploring antiperoxidative potential of structurally diverse classes of antioxidants on docetaxel-induced lipid peroxidation using 4-HNE as the model marker

    Bioorganic Chemistry1970journal article

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    0 cites

  34. Role of antioxidants on docetaxel-induced in vitro lipid peroxidation using malondialdehyde as model marker: An experimental and in silico approach

    Medicinal Chemistry Research1970journal article

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    0 cites

  35. The QSPR-THESAURUS: The online platform of the CADASTER project

    ATLA Alternatives to Laboratory Animals1970journal article

    0 cites

  36. Daphnia and fish toxicity of (benzo)triazoles: Validated QSAR models, and interspecies quantitative activity-activity modelling

    Journal of Hazardous Materials1970journal article

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    0 cites

  37. Evaluation of CADASTER QSAR models for the aquatic toxicity of (benzo)triazoles and prioritisation by consensus prediction

    ATLA Alternatives to Laboratory Animals1970journal article

    0 cites

  38. Reply to the comment of S. Rayne on "qSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (Benzo-)triazoles"

    Journal of Computational Chemistry1970journal article

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    0 cites

  39. A QSAR study of biphenyl analogues of 2-nitroimidazo-[2, 1-b] [1, 3]-oxazines as antitubercular agents using genetic function approximation

    Medicinal Chemistry1970journal article

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    0 cites

  40. QSAR modeling is not "Push a button and find a correlation": A case study of toxicity of (Benzo-)triazoles on Algae

    Molecular Informatics1970journal article

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    0 cites

  41. QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo-)triazoles

    Journal of Computational Chemistry1970journal article

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    0 cites

  42. QSAR of adenosine receptor antagonists: Exploring physicochemical requirements for binding of pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine derivatives with human adenosine A <inf>3</inf> receptor subtype

    Bioorganic and Medicinal Chemistry Letters1970journal article

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    0 cites

  43. Classical and 3D-QSAR studies of cytochrome 17 inhibitor imidazole-substituted biphenyls

    Molecular Simulation1970journal article

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    0 cites

  44. Docking and 3D-QSAR studies of diverse classes of human aromatase (CYP19) inhibitors

    Journal of Molecular Modeling1970journal article

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    0 cites

  45. Erratum: On two novel parameters for validation of predictive QSAR models (Molecules (2009) 14 (1660-1701))

    Molecules1970journal article

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    0 cites

  46. Exploring QSAR of hydroxyphenylureas as antioxidants using physicochemical and electrotopological state atom parameters

    Molecular Simulation1970journal article

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    0 cites

  47. On further application of r<inf>m</inf><sup>2</sup> as a metric for validation of QSAR models

    Journal of Chemometrics1970journal article

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    0 cites

  48. Pharmacophore mapping, molecular docking and QSAR studies of structurally diverse compounds as CYP2B6 inhibitors

    Molecular Simulation1970journal article

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    0 cites

  49. Comparative chemometric modeling of cytochrome 3A4 inhibitory activity of structurally diverse compounds using stepwise MLR, FA-MLR, PLS, GFA, G/PLS and ANN techniques

    European Journal of Medicinal Chemistry1970journal article

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    0 cites

  50. Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques

    European Journal of Medicinal Chemistry1970journal article

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    0 cites

  51. On two novel parameters for validation of predictive QSAR models

    Molecules1970journal article

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    0 cites

  52. QSAR of cytochrome inhibitors

    Expert Opinion on Drug Metabolism and Toxicology1970journal article

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    0 cites

  53. Sterodin®, a novel immunostimulating drug: Some toxicological and pharmacological evaluations in vivo, and drug-lipid interaction studies in vitro

    Acta Pharmaceutica1970journal article

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    0 cites

  54. Comparative QSAR studies of CYP1A2 inhibitor flavonoids using 2D and 3D descriptors

    Chemical Biology and Drug Design1970journal article

    View DOI
    0 cites

  55. Exploring QSARs for binding affinity of azoles with CYP2B and CYP3A enzymes using GFA and G/PLS techniques

    Chemical Biology and Drug Design1970journal article

    View DOI
    0 cites

  56. Exploring the impact of size of training sets for the development of predictive QSAR models

    Chemometrics and Intelligent Laboratory Systems1970journal article

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    0 cites

  57. On some aspects of variable selection for partial least squares regression models

    QSAR and Combinatorial Science1970journal article

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    0 cites