Investigation of the crystal structure, supramolecular architecture and in-silico myelofibrosis inhibition of a triazole derivative: a structural and theoretical approach D C Vinay Kumar, B S Chethan, Darshini Gowda, K S Rangappa, N K Lokanath Journal of Molecular Structure 1288, 135770, 2023 | 14 | 2023 |
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 … DCV Kumar, BS Chethan, V Shalini, KS Rangappa, NK Lokanath Journal of Molecular Structure 1297, 136976, 2024 | 10 | 2024 |
Ordering self-assembly structures via NH⋯ S and Br⋯ S interactions in (E)-2-(4-bromobenzylidene) hydrazinecarbothioamide: Insights from crystallographic and computational study V Kumar, S Kumar Journal of Molecular Structure 1310, 138285, 2024 | 6 | 2024 |
Exploration of crystal structure, supramolecular organization, and computational studies of a novel pyrazole derivative: A structural and theoretical perspectives D Rekharani, VK DC, BS Chethan, D Urs, KR Sathisha, NK Lokanath, ... Journal of Molecular Structure 1321, 140265, 2025 | 1 | 2025 |
Synthesis, biological evaluation of novel pyridine derivative as antibacterial agent: DFT, molecular docking and ADMET studies M Hamsaveni, R Hegde, B Sahana, BS Chethan, K Pruthvi, N Maithra, ... Journal of Molecular Structure 1318, 139367, 2024 | 1 | 2024 |
Exploring the structural intricacies of 1D HOF in a novel hydrazone derivative exhibiting anticancer potential: A crystallographic and computational approach N Maithra, SS Srivatsan, BK Kumar, BS Chethan, K Pruthviraj, ... Journal of Molecular Structure 1322, 140523, 2025 | | 2025 |
Novel quinoline-4-carboxamide derivatives potentiates apoptosis by targeting PDK1 to overcome chemo-resistance in colorectal cancer: Theoretical and experimental results V Shalini, AN Priyadarshini, VK DC, D Gowda, BS Chethan, SM Srinivasa, ... Heliyon 10 (19), 2024 | | 2024 |