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Works (7)

A comprehensive investigation of 4-(4-chlorophenyl)-3-methyl-6,7,8,9-tetrahydroisoxazolo[5,4-b]quinolin-5(4H)-one as potential anticancer agent: Insights from computational and experimental results through crystal structure analysis

Journal of Molecular Structure
2025-05 | Journal article
DOI: 10.1016/j.molstruc.2025.141489
Contributors: Darshini Gowda; D.C. Vinay Kumar; Byresh Gowda; B.S. Chethan; K.B. Harsha; V. Shalini; M.S. Sudhanva; R. Shobith; K.S. Rangappa
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Exploration of crystal structure, supramolecular organization, and computational studies of a novel pyrazole derivative: A structural and theoretical perspectives

Journal of Molecular Structure
2025-02 | Journal article
DOI: 10.1016/j.molstruc.2024.140265
Contributors: Rekharani D; Vinay Kumar DC; Chethan BS; Deepa Urs MV; Sathisha KR; Mahesha; Lokanath NK; Naveen S
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Exploring the structural intricacies of 1D HOF in a novel hydrazone derivative exhibiting anticancer potential: A crystallographic and computational approach

Journal of Molecular Structure
2025-02 | Journal article
DOI: 10.1016/j.molstruc.2024.140523
Contributors: N. Maithra; S. Sanjay Srivatsan; B. Keerthan Kumar; B.S. Chethan; K Pruthviraj; D.C. Vinay Kumar; B.R. Kirthan; M.C. Prabhakara; N.K. Lokanath
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Synthesis, biological evaluation of novel pyridine derivative as antibacterial agent: DFT, molecular docking and ADMET studies

Journal of Molecular Structure
2024-12 | Journal article
DOI: 10.1016/j.molstruc.2024.139367
Contributors: M. Hamsaveni; Ruthu Ramachandra Hegde; B. Sahana; B.S. Chethan; K. Pruthviraj; N. Maithra; D.C. Vinay Kumar; S.V. Niranjana; K. Sunil; N.K. Lokanath
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Novel quinoline-4-carboxamide derivatives potentiates apoptosis by targeting PDK1 to overcome chemo-resistance in colorectal cancer: Theoretical and experimental results

Heliyon
2024-10 | Journal article
DOI: 10.1016/j.heliyon.2024.e38105
Contributors: Shalini V; Priyadarshini A N; Harsha Kachigere B; Vinay Kumar D C; Darshini Gowda; Chethan B S; Sudhanva M Srinivasa; Shobith Rangappa; Kanchugarakoppal S Rangappa
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Structural elucidation and in-silico evaluation of 1,2,4-triazole derivative as potent Omicron variant of SARS-CoV-2 spike protein inhibitor with pharmacokinetics ADMET and drug-likeness predictions

Journal of Molecular Structure
2023-11 | Journal article
DOI: 10.1016/j.molstruc.2023.136976
Contributors: D.C. Vinay Kumar; B.S. Chethan; Shalini V; K.S. Rangappa; N.K. Lokanath
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Investigation of the crystal structure, supramolecular architecture and in-silico myelofibrosis inhibition of a triazole derivative: a structural and theoretical approach

Journal of Molecular Structure
2023-09 | Journal article
DOI: 10.1016/j.molstruc.2023.135770
Contributors: D C Vinay Kumar; B S Chethan; Darshini Gowda; K S Rangappa; N K Lokanath
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