Sertraline as a promising antifungal agent: inhibition of growth and biofilm of Candida auris with special focus on the mechanism of action in vitro M Gowri, B Jayashree, J Jeyakanthan, EK Girija Journal of applied microbiology 128 (2), 426-437, 2020 | 54 | 2020 |
P21-activated kinase 1 (Pak1) signaling influences therapeutic outcome in pancreatic cancer S Jagadeeshan, A Subramanian, S Tentu, S Beesetti, M Singhal, ... Annals of oncology 27 (8), 1546-1556, 2016 | 46 | 2016 |
Investigation of vital pathogenic target orotate phosphoribosyltransferases (OPRTase) from Thermus thermophilus HB8: Phylogenetic and molecular modeling approach K Surekha, D Prabhu, M Richard, M Nachiappan, J Biswal, J Jeyakanthan Gene 583 (2), 102-111, 2016 | 24 | 2016 |
Mechanical insights of oxythiamine compound as potent inhibitor for human transketolase-like protein 1 (TKTL1 protein) R Mariadasse, J Biswal, P Jayaprakash, GR Rao, SK Choubey, ... Journal of Receptors and Signal Transduction 36 (3), 233-242, 2016 | 19 | 2016 |
β-lactam substituted polycyclic fused pyrrolidine/pyrrolizidine derivatives eradicate C. albicans in an ex vivo human dentinal tubule model by inhibiting sterol 14-α … M Gowri, WS Beaula, J Biswal, P Dhamodharan, R Saiharish, R Pitani, ... Biochimica et Biophysica Acta (BBA)-General Subjects 1860 (4), 636-647, 2016 | 19 | 2016 |
Identification of potential inhibitors for AIRS from de novo purine biosynthesis pathway through molecular modeling studies – a computational approach RGR Rao, J Biswal, P Dhamodharan, S Kanagarajan, J Jeyaraman Journal of Biomolecular Structure and Dynamics 34 (10), 2199-2213, 2016 | 15 | 2016 |
Watermap and molecular dynamic simulation-guided discovery of potential PAK1 inhibitors using repurposing approaches J Biswal, P Jayaprakash, SK Rayala, G Venkatraman, R Rangaswamy, ... ACS omega 6 (41), 26829-26845, 2021 | 13 | 2021 |
Identification of potential inhibitors for oncogenic target of dihydroorotate dehydrogenase using in silico approaches K Surekha, M Nachiappan, D Prabhu, SK Choubey, J Biswal, ... Journal of Molecular Structure 1127, 675-688, 2017 | 13 | 2017 |
Identification of Pak1 inhibitors using water thermodynamic analysis J Biswal, P Jayaprakash, RS Kumar, G Venkatraman, S Poopandi, ... Journal of Biomolecular Structure and Dynamics, 2020 | 12 | 2020 |
Computational screening of potential inhibitors targeting MurF of Brugia malayi Wolbachia through multi-scale molecular docking, molecular dynamics and MM-GBSA analysis S Poopandi, R Sundaraj, R Rajmichael, S Thangaraj, P Dhamodharan, ... Molecular and Biochemical Parasitology 246, 111427, 2021 | 8 | 2021 |
Design of novel PhMTNA inhibitors, targeting neurological disorder through homology modeling, molecular docking, and dynamics approaches P Jayaprakash, J Biswal, S Kanagarajan, D Prabhu, P Gogoi, ... Journal of Receptors and Signal Transduction 39 (1), 28-38, 2019 | 8 | 2019 |
Discovery of potent Camkk1 kinase inhibitors through e-pharmacophore and molecular screening approaches J Prajisha, J Biswal, J Jeyakanthan Journal of Biomolecular Structure and Dynamics 40 (6), 2740-2756, 2022 | 7 | 2022 |
Small peptide inhibitor from the sequence of RUNX3 disrupts PAK1–RUNX3 interaction and abrogates its phosphorylation-dependent oncogenic function R Kanumuri, AK Chelluboyina, J Biswal, R Vignesh, J Pandian, A Venu, ... Oncogene 40 (34), 5327-5341, 2021 | 7 | 2021 |
Synergistic effects of hydration sites in protein stability: a theoretical water thermodynamics approach J Biswal, P Jayaprakash, R Rangaswamy, J Jeyakanthan Frontiers in Protein Structure, Function, and Dynamics, 187-212, 2020 | 5 | 2020 |
Designing of potent anti-diabetic molecules by targeting SIK2 using computational approaches P Jayaprakash, J Biswal, R Rangaswamy, J Jeyakanthan Molecular Diversity 27 (3), 1101-1121, 2023 | 4 | 2023 |
Water Mapping and Scoring Approaches to Predict the Role of Hydration Sites in the Binding Affinity of PAK1 Inhibitors J Biswal, P Jayaprakash, SK Rayala, G Venkatraman, R Rangasamy, ... Combinatorial Chemistry & High Throughput Screening 25 (4), 660-676, 2022 | 4 | 2022 |
Rohan prasad M Gowri, W Sofi Beaula, J Biswal, P Dhamodharan, R Saiharish S, Pitani, R, Kandaswamy, D, Raghunathan, R, Jeyakanthan, J, Rayala, SK …, 0 | 4 | |
Structural insights on binding mechanism of CAD complexes (CPSase, ATCase and DHOase) S Kanagarajan, P Dhamodharan, N Mutharasappan, SK Choubey, ... Journal of Biomolecular Structure and Dynamics 39 (9), 3144-3157, 2021 | 3 | 2021 |
Exploration of N5-CAIR Mutase Novel Inhibitors from Pyrococcus horikoshii OT3: A Computational Study GRR Ravi, J Biswal, S Kanagarajan, J Jeyakanthan Journal of Computational Biology 26 (5), 457-472, 2019 | 3 | 2019 |
Investigation of translation initiation factor through protein–protein interactions and molecular dynamics approaches P Jayaprakash, J Biswal, CJ Pandian, J Kingsley, J Jeyakanthan Molecular Simulation 49 (11), 1104-1116, 2023 | 2 | 2023 |