| 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 | 32 | 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 | 23 | 2022 |
| 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 | 20 | 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 | 19 | 2023 |
| Identification of novel bioactive compounds from banana fruit (Musa sapientum) as antidepressant in pregnant women: molecular docking, physiochemical and ADMET evaluation RS Banu, IM Priya, ASA Zochedh Asian Journal of Biotechnology and Genetic Engineering 5, 9-24, 2022 | 19 | 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 | 17 | 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 | 17 | 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 | 16 | 2023 |
| Quantum chemical and molecular docking studies of Naringin: a potent anti-cancer drug. ASA Zochedh, SA Bahadur, T Kathiresan | 16 | 2021 |
| 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 | 13 | 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 | 13 | 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 | 12 | 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 | 12 | 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 | 7 | 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 | 6 | 2023 |
| 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, 1-29, 2023 | 6 | 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 | 6 | 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 | 5 | 2023 |
| 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 | 3 | 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 | 2 | 2024 |
Thandavarayan KathiresanProfessor, Department of Biotechnology, Kalasalingam university,Verified email at klu.ac.in
