| 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 | 47 | 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 | 44 | 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 44 (3), 1556-1580, 2024 | 33 | 2024 |
| 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 | 26 | 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 | 26 | 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 44 (3), 1947-1970, 2024 | 25 | 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 44 (6), 3825-3859, 2024 | 19 | 2024 |
| 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 44 (4), 2153-2187, 2024 | 19 | 2024 |
| 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 (01), 93-116, 2024 | 18 | 2024 |
| 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 | 18 | 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 | 17 | 2024 |
| 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 | 13 | 2023 |
| Encapsulating 2-Aminopyridine With Zeolite Imidazole Framework Nanoparticles for Induction of Cell Death via pH-Responsive Delivery in Hepatocellular Carcinoma (HepG2) Cells A Zochedh, K Chandran, K Arumugam, M Priya, M Anbazhagan, ... Polycyclic Aromatic Compounds, 1-19, 2024 | 10 | 2024 |
| Pharmacoinformatics and quantum chemicals‐based analysis of aromatic molecule decanal as a potent drug against breast cancer K Arumugam, K Chandran, A Zochedh, S Ansar, AB Sultan, YA Kumar, ... International Journal of Quantum Chemistry 124 (15), e27451, 2024 | 9 | 2024 |
| Combinatory Effect of Gemcitabine and 5‐Fluorouracil Investigated Through Chemoinformatics and Molecular Dynamics Simulation Against Breast Cancer S Sukumaran, A Zochedh, K Chandran, AB Sultan, T Kathiresan International Journal of Quantum Chemistry 124 (20), e27498, 2024 | 4 | 2024 |
| Pharmacoinformatics‐Based Screening of Phytochemicals From Euphorbia hirta Against Corona Virus by Targeting COVID‐19 Main Protease Azar Zochedh, Kaliraj Chandran, Eswari Chelladurai, Amirthavarshini ... Letters in Applied NanoBioScience 14 (1), 34, 2024 | 4 | 2024 |
| Identification of Novel Bioactive Phytochemicals from Solanum torvum as AKT1 Regulator against breast Cancer: an In-Silico Approach K Chandran, A Zochedh, AB Sultan, T Kathiresan Lett Appl Nanobiosci 14 (1), 39, 2024 | 4 | 2024 |
| Network analysis and molecular modeling studies of pinocembrin a bioactive phytochemical of Dodonaea viscosa against Parkinson’s disease M Priya, A Zochedh, YS Mohan, K Chandran, K Arumugam, AB Sultan In Silico Pharmacology 12 (2), 1-15, 2024 | 3 | 2024 |
| Molecular Simulation and Impact of Solvent‐Based Analysis of 2‐Methoxy‐4‐Allylphenol (Eugenol) Targeting Progesterone Receptor for Breast Cancer Therapy K Arumugam, A Zochedh, K Chandran, AB Sultan, T Kathiresan International Journal of Quantum Chemistry 124 (21), e27506, 2024 | 2 | 2024 |
| Prediction of ESR1 Network and Molecular Modeling Analysis of Bioactive Molecules from Ficus microcarpa Targeting ER-alpha for Breast Cancer Therapy K Chandran, A Zochedh, R Rawat, V Eyupoglu, AB Sultan, T Kathiresan Chemistry Africa, 1-20, 2024 | 1 | 2024 |
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