Synthesis, crystal structure, vibrational profiling, DFT studies and molecular docking of N-(4-chloro-2-{[2-(1H-indol-2-ylcarbonyl) hydrazinyl](oxo) acetyl} phenyl) acetamide … RI Al-Wabli, A Salman, V Shyni, HA Ghabbour, IH Joe, MS Almutairi, ... Journal of Molecular Structure 1155, 457-468, 2018 | 15 | 2018 |
Spectroscopic, density functional theoretical study, molecular docking, and in vitro studies based on anticancer activity studies against A549 lung cancer cell line of … V Shyni, DR Leenaraj, R Ittyachan, L Joseph, D Sajan Journal of Molecular Recognition 34 (11), e2916, 2021 | 3 | 2021 |
Vibrational spectra and molecular docking studies of bergapten isolated from Melicopedenhamii leaves as anti-breast cancer agents. D Philip, B. M., John, J. S., Shyni, V., Kuruvilla, T. K., Paulose, T. A. P ... Journal of Molecular structure 132656 (1258), 2022 | 2 | 2022 |
Density functional theoretical study, spectroscopic characterization and molecular docking of the diuretic drug, spironolactone, adsorbed on AuNPs surface and in-vitro studies … V Shyni, DR Leenaraj, R Ittyachan, RV Rajan, GJ Shyju, L Joseph, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 646, 128255, 2022 | 1 | 2022 |
Anticancer activity of indapamide adsorbed on gold nanoparticles: DFT, in‐silico, and in‐vitro analysis V Shyni, DR Leenaraj, R Ittyachan, L Joseph, D Sajan Journal of Molecular Recognition 34 (10), e2920, 2021 | 1 | 2021 |
Spectroscopic studies, quantum chemical investigations, and in silico and in vitro scrutiny of the diuretic drug trichlormethiazide adsorbed on AuNPs V Shyni, DR Leenaraj, R Ittyachan, GJ Shyju, L Joseph, D Sajan Journal of Molecular Recognition 35 (1), e2939, 2022 | | 2022 |
Molecular docking and spectroscopic investigations of certain diuretic drug molecules using density functional theory computations V Shyni Thiruvananthapuram, 0 | | |