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Yenamandra S. Prabhakar

CSIR-Central Drug Research Institute Medicinal and Process Chemistry DivisionIN
ORCID0000-0002-9156-2441
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Citations
1,563

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Publications
84

About

Yenamandra S. Prabhakar is a researcher affiliated with CSIR-Central Drug Research Institute Medicinal and Process Chemistry Division, focused on quantitative structure-activity relationships (QSAR) and molecular modeling applications in chemoinformatics. With an extensive publication record spanning over 84 works across multiple venues between 1970, his work explores the development of predictive models for various biological activities.

Research areas

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

Publications (84)

Sorted by most cited.

  1. CP-MLR/PLS directed structure-activity modeling of the HIV-1 RT inhibitory activity of 2,3-diaryl-1,3-thiazolidin-4-ones

    QSAR and Combinatorial Science1970journal article

    View DOI
    72 cites

  2. Topological descriptors in modeling the HIV inhibitory activity of 2-aryl-3-pyridyl-thiazolidin-4-ones

    Combinatorial Chemistry and High Throughput Screening1970journal article

    View DOI
    46 cites

  3. CP-MLR directed QSAR studies on the antimycobacterial activity of functionalized alkenols-topological descriptors in modeling the activity

    Bioorganic and Medicinal Chemistry1970journal article

    View DOI
    41 cites

  4. QSAR study about ATP-sensitive potassium channel activation of cromakalim analogues using CP-MLR approach

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    35 cites

  5. Combinatorial protocol in multiple linear regression/partial least-squares directed rationale for the caspase-3 inhibition activity of isoquinoline-1,3,4-trione derivatives

    SAR and QSAR in Environmental Research1970journal article

    View DOI
    25 cites

  6. QSAR study on tetrahydroquinoline analogues as plasmodium protein farnesyltransferase inhibitors: A comparison of rationales of malarial and mammalian enzyme inhibitory activities for selectivity

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    23 cites

  7. Juglone derivatives as antitubercular agents: A rationale for the activity profile

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    21 cites

  8. Chemometric descriptors in modeling the carbonic anhydrase inhibition activity of sulfonamide and sulfamate derivatives

    Molecular Diversity1970journal article

    View DOI
    21 cites

  9. Molecular surface features in modeling the HIV-1 RT inhibitory activity of 2-(2,6-disubstituted phenyl)-3-(substituted pyrimidin-2-yl)-thiazolidin-4-ones

    QSAR and Combinatorial Science1970journal article

    View DOI
    12 cites

  10. CP-MLR/PLS directed QSAR study on the glutaminyl cyclase inhibitory activity of imidazoles: rationales to advance the understanding of activity profile

    Journal of Enzyme Inhibition and Medicinal Chemistry1970journal article

    View DOI
    11 cites

  11. QSAR of 2-(4-methylsulphonylphenyl)pyrimidine derivatives as cyclooxygenase-2 inhibitors: Simple structural fragments as potential modulators of activity

    Journal of Enzyme Inhibition and Medicinal Chemistry1970journal article

    View DOI
    10 cites

  12. A QSAR study on 2-(4-methylpiperazin-1-yl)quinoxalines as human histamine H4 receptor ligands

    Journal of Enzyme Inhibition and Medicinal Chemistry1970journal article

    View DOI
    8 cites

  13. CP-MLR directed QSAR study of carbonic anhydrase inhibitors: Sulfonamide and sulfamate inhibitors

    Central European Journal of Chemistry1970journal article

    View DOI
    8 cites

  14. Modeling of the growth hormone secretagogue receptor antagonistic activity using chemometric tools.

    Journal of enzyme inhibition and medicinal chemistry1970journal article

    View DOI
    4 cites

  15. Conformational perturbation of SARS-CoV-2 spike protein using N-acetyl cysteine: an exploration of probable mechanism of action to combat COVID-19

    Journal of Biomolecular Structure and Dynamics2024journal article

    View DOI
    0 cites

  16. Non-bonding energy directed designing of HDAC2 inhibitors through molecular dynamics simulation

    Journal of Biomolecular Structure and Dynamics2022journal article

    View DOI
    0 cites

  17. Investigation of HDAC8-ligands’ intermolecular forces through molecular dynamics simulations: profiling of non-bonding energies to design potential compounds as new anti-cancer agents

    Journal of Biomolecular Structure and Dynamics2021journal article

    View DOI
    0 cites

  18. Molecular dynamics study of HDAC8-largazole analogues co-crystals for designing potential anticancer compounds

    Journal of Biomolecular Structure and Dynamics2020journal article

    View DOI
    0 cites

  19. Synthesis and QSAR of 1-aryl-4-(β-2-quinolyl/l-isoquinolylethyl)piperazines and some related compounds as hypotensive agents

    Indian Journal of Chemistry - Section B Organic Chemistry Including Medicinal Chemistry1970journal article

    0 cites

  20. On the ethnomedical significance of the arjun tree, Terminalia arjuna (Roxb.) Wight & Arnot

    Journal of Ethnopharmacology1970journal article

    View DOI
    0 cites

  21. Quantitative structure-activity relationship study on amsacrine derivatives

    Research Communications in Chemical Pathology and Pharmacology1970journal article

    0 cites

  22. Effect of molecular size on the activity of adriamycin analogues: A quantitative structure-activity relationship study

    Journal of Pharmacobio-Dynamics1970journal article

    View DOI
    0 cites

  23. A quantitative analysis of dependence of platelet aggregation inhibition and hypotensive activities of dihydropyridazinone derivatives on molecular size

    Indian Journal of Biochemistry and Biophysics1970journal article

    0 cites

  24. Quantitative correlations of biological activities of dactinomycin analogs and methotrexate derivatives with van der Waals volume

    Arzneimittel-Forschung/Drug Research1970journal article

    0 cites

  25. Structure-activity relationship study on angiotensin- converting enzyme inhibitors. Investigation of hydrophobic interaction in inhibition mechanism

    Indian Journal of Biochemistry and Biophysics1970journal article

    0 cites

  26. A quantitative analysis of steric and hydrophobic effects in ribonucleoside diphosphate reductase inhibition by thiosemicarbazones

    Arzneimittel-Forschung/Drug Research1970journal article

    0 cites

  27. Correlation of biological activities of mesoionic and benz-fused mesoionic xanthine analogs with van der waals volume and molecular connectivity

    Journal of Pharmacobio-Dynamics1970journal article

    View DOI
    0 cites

  28. Dependence of anaesthetic activity on molecular polarizability & van der Waals volume.

    Indian Journal of Biochemistry and Biophysics1970journal article

    0 cites

  29. Identification of adjacent NNRTI binding pocket in multi-mutated HIV1-RT enzyme model: An in silico study

    Current HIV Research1970journal article

    View DOI
    0 cites

  30. N-(7-Chloroquinolinyl-4-aminoalkyl)arylsulfonamides as antimalarial agents: Rationale for the activity with reference to inhibition of hemozoin formation

    RSC Advances1970journal article

    View DOI
    0 cites

  31. Spiro-oxindole derivative 5-chloro-4′,5′-diphenyl-3′-(4-(2-(piperidin-1-yl) ethoxy) benzoyl) spiro[indoline-3,2′-pyrrolidin]-2-one triggers apoptosis in breast cancer cells via restoration of p53 function

    International Journal of Biochemistry and Cell Biology1970journal article

    View DOI
    0 cites

  32. In Silico Exploration for New Antimalarials: Arylsulfonyloxy Acetimidamides as Prospective Agents

    Journal of Chemical Information and Modeling1970journal article

    View DOI
    0 cites

  33. Synthesis, Biological Evaluation and Molecular Modeling Studies of New 2,3-Diheteroaryl Thiazolidin-4-Ones as NNRTIs

    Chemical Biology and Drug Design1970journal article

    View DOI
    0 cites

  34. Target based drug design - A reality in virtual sphere

    Current Medicinal Chemistry1970journal article

    View DOI
    0 cites

  35. Synthesis of 2,3,6-trideoxy sugar triazole hybrids as potential new broad spectrum antimicrobial agents

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    0 cites

  36. Chemo- and bioinformatics in the discovery of antimalarial drugs and arthropod repellents to counter vector borne diseases (VBDs)

    Current Computer-Aided Drug Design1970journal article

    View DOI
    0 cites

  37. Chemotherapeutic Potential of 2-[Piperidinoethoxyphenyl]-3-Phenyl-2H-Benzo(b)pyran in Estrogen Receptor- Negative Breast Cancer Cells: Action via Prevention of EGFR Activation and Combined Inhibition of PI-3-K/Akt/FOXO and MEK/Erk/AP-1 Pathways

    PLoS ONE1970journal article

    View DOI
    0 cites

  38. Discovery of triazine mimetics as potent antileishmanial agents

    ACS Medicinal Chemistry Letters1970journal article

    View DOI
    0 cites

  39. Graph theory concepts in the rationales of anti HIV-1 compounds

    Current Computer-Aided Drug Design1970journal article

    View DOI
    0 cites

  40. Modeling of LIM-kinase 2 inhibitory activity of pyrrolopyrimidine analogues: Useful in treatment of ocular hypertension and glaucoma

    Medicinal Chemistry1970journal article

    View DOI
    0 cites

  41. Pyridones as NNRTIs against HIV-1 mutants: 3D-QSAR and protein informatics

    Journal of Computer-Aided Molecular Design1970journal article

    View DOI
    0 cites

  42. Topological and physicochemical characteristics of 1,2,3,4-tetrahydroacridin-9(10H)-ones and their antimalarial profiles: A composite insight to the structure-activity relation

    Current Computer-Aided Drug Design1970journal article

    View DOI
    0 cites

  43. Topological features in profiling the antimalarial activity landscape of anilinoquinolines: A multipronged QSAR study

    Journal of Chemistry1970journal article

    View DOI
    0 cites

  44. Cypermethrin induces astrocyte apoptosis by the disruption of the autocrine/paracrine mode of epidermal growth actor receptor signaling

    Toxicological Sciences1970journal article

    View DOI
    0 cites

  45. Arylpiperazines for management of benign prostatic hyperplasia: Design, synthesis, quantitative structure-activity relationships, and pharmacokinetic studies

    Journal of Medicinal Chemistry1970journal article

    View DOI
    0 cites

  46. CP-MLR/PLS directed QSAR study on apical sodium-codependent bile acid transporter inhibition activity of benzothiepines

    Molecular Diversity1970journal article

    View DOI
    0 cites

  47. CoMFA and CoMSIA analysis of tetrahydroquinolines as potential antimalarial agents

    SAR and QSAR in Environmental Research1970journal article

    View DOI
    0 cites

  48. CoMFA and CoMSIA of diverse pyrrolidine analogues as dipeptidyl peptidase IV inhibitors: Active site requirements

    Molecular Diversity1970journal article

    View DOI
    0 cites

  49. Consensus features of CP-MLR and GA in modeling HIV-1 RT inhibitory activity of 4-benzyl/benzoylpyridin-2-one analogues

    Journal of Enzyme Inhibition and Medicinal Chemistry1970journal article

    View DOI
    0 cites

  50. Modelling of serotonin reuptake inhibitory and histamine H<inf>3</inf>antagonistic activity of piperazine and diazepane amides: QSAR rationales for co-optimization of the activity profiles

    SAR and QSAR in Environmental Research1970journal article

    View DOI
    0 cites

  51. Specific targeting of insulin-like growth factor 1 receptor signaling in human estrogen dependent breast cancer cell by a novel tyrosine-based benzoxazepine derivative

    Molecular and Cellular Endocrinology1970journal article

    View DOI
    0 cites

  52. A quantitative structure-activity relationship study on serotonin 5-HT<inf>6</inf> receptor ligands: Indolyl and piperidinyl sulphonamides

    SAR and QSAR in Environmental Research1970journal article

    View DOI
    0 cites

  53. CoMFA and CoMSIA studies on thiazolidin-4-one as anti-HIV-1 agents

    Journal of Molecular Graphics and Modelling1970journal article

    View DOI
    0 cites

  54. Is feature selection essential for ANN modeling?

    QSAR and Combinatorial Science1970journal article

    View DOI
    0 cites

  55. Modeling of vascular endothelial growth factor receptor 2 (VEGFR2) kinase inhibitory activity of 2-anilino-5-aryloxazoles using chemometric tools

    Journal of Enzyme Inhibition and Medicinal Chemistry1970journal article

    View DOI
    0 cites

  56. Synthesis and biological evaluation of 2,3,4-triarylbenzopyran derivatives as SERM and therapeutic agent for breast cancer

    Bioorganic and Medicinal Chemistry1970journal article

    View DOI
    0 cites

  57. Topological descriptors in modeling malonyl coenzyme A decarboxylase inhibitory activity: N-Alkyl-N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropylphenyl) amide derivatives

    Journal of Enzyme Inhibition and Medicinal Chemistry1970journal article

    View DOI
    0 cites

  58. Topological descriptors in modeling the agonistic activity of human A<inf>3</inf> adenosine receptor ligands: The derivatives of 2-chloro-N<sup>6</sup>-substituted-4′-thioadenosine-5′-uronamide

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    0 cites

  59. Topological descriptors in modelling antimalarial activity: N<sup>1</sup>-(7-chloro-4-quinolyl)-1,4-bis(3-aminopropyl)piperazine as prototype

    Journal of Enzyme Inhibition and Medicinal Chemistry1970journal article

    View DOI
    0 cites

  60. Chemical structure indices in in silico molecular design

    Scientia Pharmaceutica1970journal article

    View DOI
    0 cites

  61. QSAR studies on benzoylaminobenzoic acid derivatives as inhibitors of β-ketoacyl-acyl carrier protein synthase III

    European Journal of Medicinal Chemistry1970journal article

    View DOI
    0 cites

  62. C-3 alkyl/arylalkyl-2,3-dideoxy hex-2-enopyranosides as antitubercular agents: Synthesis, biological evaluation, and QSAR study

    Journal of Medicinal Chemistry1970journal article

    View DOI
    0 cites

  63. A high dimensional QSAR study on the aldose reductase inhibitory activity of some flavones: Topological descriptors in modeling the activity

    Journal of Chemical Information and Modeling1970journal article

    View DOI
    0 cites

  64. A simple algorithm for unique representation of chemical structures - Cyclic/acyclic functionalized achiral molecules

    Journal of Chemical Information and Modeling1970journal article

    View DOI
    0 cites

  65. Electronic surface features in modeling the protein farnesyltransferase inhibitory activity of tetrahydroquinoline analogues: A rational for the design of antimalarial agents

    Medicinal Chemistry Research1970journal article

    View DOI
    0 cites

  66. Topological descriptors in modeling the antimalarial activity of 4-(3′,5′-disubstituted anilino)quinolines

    Journal of Chemical Information and Modeling1970journal article

    View DOI
    0 cites

  67. 2-(Aryl)-3-furan-2-ylmethyl-thiazolidin-4-ones as selective HIV-RT Inhibitors

    Bioorganic and Medicinal Chemistry1970journal article

    View DOI
    0 cites

  68. Synthesis and QSAR studies on thiazolidinones as anti-HIV agents

    Combinatorial Chemistry and High Throughput Screening1970journal article

    View DOI
    0 cites

  69. A combinatorial approach to the variable selection in multiple linear regression: Analysis of Selwood et al. data set - A case study

    QSAR and Combinatorial Science1970journal article

    View DOI
    0 cites

  70. Synthesis and QSAR studies on the antifungal activity of 2,3,4-substituted thiazolidines

    QSAR and Combinatorial Science1970journal article

    View DOI
    0 cites

  71. Analysis of tetrahedral carbon in QSAR studies. A case study using 3-hydroxy-3-methylglutaryl-coenzyme a reductase inhibitors

    Journal of Chemical Information and Computer Sciences1970journal article

    View DOI
    0 cites

  72. A QSAR study on the antileishmanial activity of some substituted pyrimidines and pyrazolo[1,5-a]pyrimidines

    Indian Journal of Pharmaceutical Sciences1970journal article

    0 cites

  73. A comparative study of antiplasmin activity of some pyridine derivatives and related compounds

    Current Science1970journal article

    0 cites

  74. A theoretical study of hydrophobic fragment and factor constants of Hansch and Leo: Estimation of a few non-available fragments and factors

    Indian Journal of Biochemistry and Biophysics1970journal article

    0 cites

  75. QSAR study of HMGR inhibitors: 7-(heteroaryl)-3,5-dihydroxy-6-heptenoic (-heptanoic) acids

    Drug Design and Discovery1970journal article

    0 cites

  76. Quantum QSAR of the antirhinoviral activity of 9-benzylpurines

    Drug Design and Delivery1970journal article

    0 cites

  77. Synthesis and QSAR in 2,3,6,8-substituted 1,3-quinazolin-4(4H)-ones as potential anthelmintics

    Indian Journal of Chemistry - Section B Organic Chemistry Including Medicinal Chemistry1970journal article

    0 cites

  78. A survey of cardioactive drug formulations from Ayurveda. II: Porridges, oils, clarified butters, electuaries, pastes, ash preparations and calcined powders

    Fitoterapia1970journal article

    0 cites

  79. QSAR study on the antiviral activity of 2,6,9-substituted purines and related analogues

    Indian Journal of Biochemistry and Biophysics1970journal article

    0 cites

  80. The Varuna tree, Crataeva nurvala, a promising plant in the treatment of urinary stones - A review

    Fitoterapia1970journal article

    0 cites

  81. Heart disease in Ayurveda III: a historical perspective.

    Bulletin of the Indian Institute of History of Medicine (Hyderabad)1970journal article

    0 cites

  82. Hepatoprotective effects of Wedelia calendulacea

    Journal of Ethnopharmacology1970journal article

    View DOI
    0 cites

  83. QSAR study of phosphodiesterase inhibitory activity of imidazo[2,1-b]quinazolines: Active site analysis

    Drug Design and Delivery1970journal article

    0 cites

  84. QSAR study of the role of hydrophobicity in the activity of HMGR inhibitors

    Drug Design and Delivery1970journal article

    0 cites