Docking simulation and ADMET prediction based investigation on the phytochemical constituents of Noni (Morinda citrifolia) fruit as a potential anticancer drug K Chandran, DI Shane, A Zochedh, AB Sultan, T Kathiresan In Silico Pharmacology 10 (1), 14, 2022 | 24 | 2022 |
Molecular simulation of naringin combined with experimental elucidation–Pharmaceutical activity and Molecular docking against Breast cancer A Zochedh, K Chandran, M Priya, AB Sultan, T Kathiresan Journal of Molecular Structure 1285, 135403, 2023 | 19 | 2023 |
DFT Simulation of Berberine Chloride with Spectroscopic Characterization–Biological Activity and Molecular Docking against Breast Cancer A Zochedh, K Chandran, M Priya, AB Sultan, T Kathiresan Polycyclic Aromatic Compounds, 1-25, 2023 | 13 | 2023 |
Computer-aided analysis of biochanin-a as a potential breast cancer drug based on DFT, molecular docking, and pharmacokinetic studies M Priya, A Zochedh, K Chandran, K Arumugam, S Banu, C Chakaravarthy, ... Letters in Applied NanoBioScience 12, 2022 | 13 | 2022 |
Graph Theory Network, Molecular Docking, Quantum Chemicals and Pharmacokinetics-Based Investigation on Phytochemicals from Sida rhombifolia against … M Priya, K Arumugam, C Chakaravarthy, K Chandran, AB Sultan, ... Polycyclic Aromatic Compounds, 1-24, 2023 | 8 | 2023 |
Observations into quantum simulation, spectroscopy, electronic properties, pharmacokinetics and molecular docking analysis of lawsone against breast cancer K Chandran, A Zochedh, AB Sultan, T Kathiresan Journal of Molecular Structure 1293, 136280, 2023 | 7 | 2023 |
Investigation of Guanidine-Curcumin Complex based on Quantum Chemicals, Pharmacokinetics and Molecular Docking Simulation against Breast Cancer: A Theoretical Approach TM Viswanathan, A Zochedh, K Chandran, S Sukumaran, AB Sultan, ... Asian Journal of Chemistry 35 (5), 1189-1198, 2023 | 7 | 2023 |
Exploring the Synergistic Effect of Tegafur-Syringic Acid Adduct Against Breast Cancer through DFT Computation, Spectroscopy, Pharmacokinetics and Molecular Docking Simulation A Zochedh, K Chandran, A Shunmuganarayanan, AB Sultan Polycyclic Aromatic Compounds, 1-35, 2023 | 6 | 2023 |
Quantum chemical calculation, topological analysis, biological evaluation and molecular docking of allo‐ocimenol against breast cancer K Chandran, A Zochedh, S Sukumaran, AB Sultan, T Kathiresan International Journal of Quantum Chemistry 124 (1), e27299, 2024 | 4 | 2024 |
Synthesis of 1-Piperoylpiperidine Investigated Through Spectroscopy, Quantum Computation, Pharmaceutical Activity, Docking and MD Simulation Against Breast Cancer K Chandran, A Zochedh, AB Sultan, T Kathiresan Polycyclic Aromatic Compounds, 1-35, 2023 | 4 | 2023 |
Investigation on 5-Isopropyl-2-methylphenol via quantum chemicals, pharmacokinetics, molecular docking and cytotoxicity evaluation against breast cancer K Chandran, A Zochedh, AB Sultan, T Kathiresan Journal of Computational Biophysics and Chemistry 23 (1), 93-116, 2024 | 2 | 2024 |
Exploring the co‐activity of FDA approved drug gemcitabine and docetaxel for enhanced anti‐breast cancer activity: DFT, docking, molecular dynamics simulation and pharmacophore … S Sukumaran, A Zochedh, K Chandran, AB Sultan, T Kathiresan International Journal of Quantum Chemistry 124 (4), e27359, 2024 | 1 | 2024 |