| 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 | 36 | 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 | 27 | 2022 |
| 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 | 22 | 2023 |
| 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 | 22 | 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 | 22 | 2022 |
| 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 | 20 | 2023 |
| 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 Ajbge, 2022 | 20 | 2022 |
| 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 | 18 | 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 | 17 | 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 | 16 | 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 | 16 | 2023 |
| Quantum chemical and molecular docking studies of Naringin: a potent anti-cancer drug. ASA Zochedh, SA Bahadur, T Kathiresan | 16 | 2021 |
| 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 | 14 | 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 | 10 | 2023 |
| 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 | 9 | 2024 |
| Combinatorial effect of syringic acid-pyrazinamide adduct against luminal type breast cancer investigated through DFT, drug-likeness, and molecular docking simulation M Priya, A Zochedh, K Palaniyandi, A Shunmuganarayanan, AB Sultan Polycyclic aromatic compounds 44 (3), 2090-2118, 2024 | 8 | 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 | 7 | 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 | 7 | 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 | 6 | 2024 |
| Insight with crystallization, quantum computation, hirshfeld, ELF/LOL and molecular docking of syringic acid nicotinamide cocrystal as potent Mycobacterium tuberculosis inhibitor A Zochedh, A Shunmuganarayanan, AB Sultan Journal of Computational Biophysics and Chemistry 23 (1), 1-24, 2024 | 5 | 2024 |
Thandavarayan KathiresanProfessor, Department of Biotechnology, Kalasalingam university,在 klu.ac.in 的电子邮件经过验证
