| Investigation on structural, spectroscopic, DFT, biological activity and molecular docking simulation of essential oil Gamma-Terpinene A Zochedh, M Priya, A Shunmuganarayanan, K Thandavarayan, ... Journal of Molecular Structure 1268, 133651, 2022 | 63 | 2022 |
| 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 | 48 | 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 | 45 | 2023 |
| Experimental and computational evaluation of syringic acid–structural, spectroscopic, biological activity and docking simulation A Zochedh, M Priya, C Chakaravarthy, AB Sultan, T Kathiresan Polycyclic aromatic compounds 43 (7), 6516-6548, 2023 | 43 | 2023 |
| Antitumor and antimicrobial effect of syringic acid urea cocrystal: structural and spectroscopic characterization, DFT calculation and biological evaluation A Zochedh, M Priya, A Shunmuganarayanan, AB Sultan, T Kathiresan Journal of Molecular Structure 1282, 135113, 2023 | 37 | 2023 |
| Conformational fidelity and hydrogen bond associability of L-histidine with sulfamate anion studied through XRD, quantum chemical, spectroscopic and molecular docking … A Zochedh, A Shunmuganarayanan, AB Sultan Journal of Molecular Structure 1274, 134402, 2023 | 37 | 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 | 34 | 2024 |
| Theoretical investigation of 5-fluorouracil and tamoxifen complex–structural, spectrum, DFT, ADMET and docking simulation S Sukumaran, A Zochedh, TM Viswanathan, AB Sultan, T Kathiresan Polycyclic Aromatic Compounds 43 (10), 9443-9460, 2023 | 34 | 2023 |
| Quantum chemical investigation, drug-likeness and molecular docking studies on galangin as alpha-synuclein regulator for the treatment of Parkinson’s disease M Priya, A Zochedh, K Arumugam, AB Sultan Chemistry Africa 6 (1), 287-309, 2023 | 34 | 2023 |
| Guanidine–curcumin complex-loaded amine-functionalised hollow mesoporous silica nanoparticles for breast cancer therapy TM Viswanathan, K Chitradevi, A Zochedh, R Vijayabhaskar, ... Cancers 14 (14), 3490, 2022 | 30 | 2022 |
| Identification of novel bioactive compounds from banana fruit (Musa sapientum) as antidepressant in pregnant women: molecular docking, physiochemical and ADMET evaluation K R Sharmili Banu, I Mohana Priya, A S Azar Zochedh Asian Journal of Biotechnology and Genetic Engineering (AJBGE) 5 (1), 9-24, 2022 | 28* | 2022 |
| 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 | 27 | 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 (4), 165, 2022 | 27 | 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 | 26 | 2024 |
| Quantum chemical and molecular docking studies of Naringin: a potent anti-cancer drug ASA Zochedh, SA Bahadur, T Kathiresan Journal of Cardiovascular Disease Research 12 (5), 1140-1148, 2021 | 22 | 2021 |
| 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 | 20 | 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 | 20 | 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 | 20 | 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 | 19 | 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 | 19 | 2024 |
Thandavarayan KathiresanProfessor, Department of Biotechnology, Kalasalingam university,Email được xác minh tại klu.ac.in