Mechanistic insights and DFT analysis of bimetal doped styrofoam-like LaFeO3 perovskites with in-built dual redox couples for enhanced Photo-Fenton degradation of Tetracycline A James, Shivakumar, JD Rodney, S Joshi, U Dalimba, BC Kim, ... Chemical Engineering Journal 481, 148466, 2024 | 16 | 2024 |
In Silico Studies of (Z)-3-(2-Chloro-4-Nitrophenyl)-5-(4-Nitrobenzylidene)-2-Thioxothiazolidin-4-One Derivatives as PPAR-γ Agonist: Design, Molecular Docking, MM-GBSA Assay … MG Srinivasa, Shivakumar, DU Kumar, CH Mehta, UY Nayak, ... Journal of Computational Biophysics and Chemistry 23 (1), 117-136, 2024 | 6 | 2024 |
Design, synthesis, characterization, and biological evaluation of novel pyrazine-1, 3, 4-oxadiazole/[1, 2, 4] triazolo [3, 4-b][1, 3, 4] thiadiazine hybrids as potent … Shivakumar, P Dinesha, D Udayakumar, VP Shetty, VK Deekshit Journal of Molecular Structure 1304, 137657, 2024 | 4 | 2024 |
Structure-based drug design and characterization of novel pyrazine hydrazinylidene derivatives with a benzenesulfonate scaffold as noncovalent inhibitors of DprE1 tor … Shivakumar, P Dinesha, D Udayakumar Molecular Diversity, 1-19, 2024 | 3 | 2024 |
Synthesis and In vitro Screening of Pyrazine-2-Carbohydrazide Derivatives as Potential Antimicrobial Agents Shivakumar, P Dinesha, D Udayakumar, VP Shetty, C Prabhu, ... Journal of Computational Biophysics and Chemistry 23 (4), 541-560, 2024 | 2 | 2024 |
Benzothiazole derivatives as p53-MDM2 inhibitors: in-silico design, ADMET predictions, molecular docking, MM-GBSA Assay, MD simulations studies. N SD, Shivakumar, DU Kumar, SD Ghate, SR Dixit, A Awasthi, ... Journal of Biomolecular Structure & Dynamics, 1-12, 2023 | 2 | 2023 |
A novel and ultrasensitive high-surface porous carbon-based electrochemical biosensor for early detection of dengue virus SS Hegde, Shivakumar, BR Bhat, P Mishra, U Dalimba, MU Ahmed, ... Biosensors and Bioelectronics: X, 100525, 2024 | 1 | 2024 |
Noncovalent inhibitors of DprE1 for tuberculosis treatment: design, synthesis, characterization, in vitro and in silico studies of 4-oxo-1,4 … Shivakumar, P Dinesha, D Udayakumar Journal of Biomolecular Structure and Dynamics, 1-15, 2024 | | 2024 |
Synthesis, Computational and UV-Vis Absorption Studies of Novel Sulfathiazole Azo Sulfonamides acting as Potent Antitubercular Agents KK Vinay, YD Bodke, Shivakumar, D Udayakumar, O Nagaraja, ... Journal of Molecular Structure, 139358, 2024 | | 2024 |
Elucidating mechanisms and DFT analysis of monometallic vanadium incorporated nanoporous tio2 as advanced material for enzyme-free electrochemical blood glucose biosensors with … L Rao, JD Rodney, Shivakumar, UK Dalimba, NK Udayashankar, BC Kim, ... Microchemical Journal, 111172, 2024 | | 2024 |
Synthesis, Molecular Docking, MD Simulation and Evaluation of Anticancer Activity of Novel 1, 3, 4-Oxadiazole Derivatives against Ehrlich Ascites Carcinoma (EAC) Cell Lines NS Deshpande, Shivakumar, D Udayakumar, A Prabhu, V Rani, SR Dixit, ... Journal of Computational Biophysics and Chemistry 23 (4), 519-539, 2024 | | 2024 |
Synthesis and biological evaluation of novel hybrid compounds bearing pyrazine and 1, 2, 4-triazole analogues as potent antitubercular agents S Naik, D Puttachari, AL Vanishree, D Udayakumar, VP Shetty, C Prabhu, ... RSC Pharmaceutics, 2024 | | 2024 |