| Structural and physico-chemical evaluation of melatonin and its solution-state excited properties, with emphasis on its binding with novel coronavirus proteins RT Nabil Al-Zaqri, T. Pooventhiran, Ali Alsalme, Ismail Warad, Athira M. John Journal of Molecular Liquids 317, 114082, 2020 | 68* | 2020 |
| Detailed spectra, electronic properties, qualitative non-covalent interaction analysis, solvatochromism, docking and molecular dynamics simulations in different solvent … T. Pooventhiran,: Utsab Bhattacharyya,: D. Jagadeeswara Rao,: Vivek ... Structural Chemistry 31, 2020 | 52 | 2020 |
| Quasi liquid Schiff bases from trans-2-hexenal and cytosine and l-leucine with potential antieczematic and antiarthritic activities: Synthesis, structure and quantum mechanical … P Surendar, T Pooventhiran, S Rajam, U Bhattacharyya, MA Bakht, ... Journal of Molecular Liquids 334, 116448, 2021 | 47 | 2021 |
| Modelling the structural and reactivity landscapes of tucatinib with special reference to its wavefunction-dependent properties and screening for potential antiviral activity RT Ali Alsalme, T. Pooventhiran, Nabil Al-Zaqri, D. Jagadeeswara Rao, Siriki ... Journal of Molecular Modeling 26 (341), 1-17, 2020 | 47 | 2020 |
| Synthesis of three quasi liquid Schiff bases between hexanal and adenine, cytosine, and l-leucine, structural interpretation, quantum mechanical studies and biological activity … P Surendar, T Pooventhiran, N Al-Zaqri, S Rajam, DJ Rao, R Thomas Journal of Molecular Liquids 341, 117305, 2021 | 44 | 2021 |
| Structural, physico-chemical landscapes, ground state and excited state properties in different solvent atmosphere of Avapritinib and its ultrasensitive detection using SERS … A Alsalme, T Pooventhiran, N Al-Zaqri, DJ Rao, R Thomas Journal of Molecular Liquids 322, 114555, 2021 | 43 | 2021 |
| Structure, conformational dynamics, quantum mechanical studies and potential biological activity analysis of multiple sclerosis medicine ozanimod RT Nabil Al-Zaqri , T. Pooventhiran , D. Jagadeeswara Rao , Ali Alsalme ... Journal of Molecular Structure 1227, 129685, 2021 | 42 | 2021 |
| Structural aspects, conformational preference and other physicochemical properties of Artesunate and the formation of selfassembly with graphene quantum dots: A first principle … RT T. Pooventhiran, Nabil Al-Zaqri, Ali Alsalme, Utsab Bhattacharyya Journal of Molecular Liquids, 114810, 2020 | 42* | 2020 |
| Design, synthesis, anticancer activity and molecular docking analysis of novel dinitrophenylpyrazole bearing 1, 2, 3-triazoles K Suryanarayana, AR Robert, N Kerru, T Pooventhiran, R Thomas, ... Journal of Molecular Structure 1243, 130865, 2021 | 29 | 2021 |
| Excited-state electronic properties, structural studies, noncovalent interactions, and inhibition of the novel severe acute respiratory syndrome coronavirus 2 proteins in … DJR Fahad A. Alharthi, Nabil Al-Zaqri, Ali Alsalme, Afnan Al-Taleb, T ... Journal of Molecular Liquids 324, 115134, 2020 | 28* | 2020 |
| Organic Quasi-Liquid Schiff Bases from Biomolecules: Synthesis, Structure and Quantum Mechanical Studies P Surendar, T Pooventhiran, S Rajam, DJ Rao, N Manigandan, A Irfan, ... Biointerface Res. Appl. Chem. 13 (2), 107, 2023 | 26 | 2023 |
| Detailed molecular structure (XRD), conformational search, spectroscopic characterization (IR, Raman, UV, fluorescence), quantum mechanical properties and bioactivity … KE Srikanth, A Veeraiah, T Pooventhiran, R Thomas, KA Solomon, ... Heliyon 6 (6), 2020 | 26 | 2020 |
| Schiff Bases from -ionone with Adenine, Cytosine, and -leucine Biomolecules: Synthesis, Structural Features, Electronic Structure, and Medicinal Activities P Surendar, T Pooventhiran, S Rajam, A Irfan, R Thomas Journal of Computational Biophysics and Chemistry 21 (01), 1-22, 2022 | 25 | 2022 |
| First-Principle Studies of Istradefylline with Emphasis on the Stability, Reactivity, Interactions and Wavefunction-Dependent Properties ASRT Nabil Al-Zaqri, T. Pooventhiran, Ali Alsalme, D. Jagadeeswara Rao ... Polycyclic Aromatic Compounds 40, 1-15, 2020 | 25* | 2020 |
| Structural investigations, quantum mechanical studies on proton and metal affinity and biological activity predictions of selpercatinib N Al-Zaqri, T Pooventhiran, FA Alharthi, U Bhattacharyya, R Thomas Journal of Molecular Liquids 325, 114765, 2021 | 24 | 2021 |
| Vibrational Spectral Studies, Quantum Mechanical Properties, and Biological Activity Prediction and Inclusion Molecular Self-Assembly Formation of N-N'-Dimethylethylene Urea RT Sushma Priya Yeddu, Pooventhiran Thangaiyan, Adamilli Veeraiah, Dharmarpu ... Biointerface Research in Applied Chemistry 12 (3), 3996-4017, 2022 | 23 | 2022 |
| Structural aspects, reactivity analysis, wavefunction based properties, cluster formation with helicene and subsequent detection from surface enhancement in Raman spectra of … DJR T. Pooventhiran, Renjith Thomas, Utsab Bhattacharyya, S. Sowrirajan ... Vietnam Journal of Chemistry 59 (6), 887-901, 2021 | 23 | 2021 |
| Study of the structural features and solvent effects using ab initio molecular dynamics and energy decomposition analysis of atogepant in water and ammonia T Pooventhiran, BS Gangadharappa, OAA Ali, R Thomas, DI Saleh Journal of Molecular Liquids 352, 118672, 2022 | 19 | 2022 |
| Energy and reactivity profile and proton affinity analysis of rimegepant with special reference to its potential activity against SARS-CoV-2 virus proteins using molecular dynamics T Pooventhiran, EF Marondedze, PP Govender, U Bhattacharyya, DJ Rao, ... Journal of Molecular Modeling 27, 1-15, 2021 | 19 | 2021 |
| Indolyl-4H-chromenes: Multicomponent one-pot green synthesis, in vitro and in silico, anticancer and antioxidant studies P Anaikutti, M Selvaraj, J Prabhakaran, T Pooventhiran, TC Jeyakumar, ... Journal of Molecular Structure 1266, 133464, 2022 | 18 | 2022 |
Renjith ThomasSt Berchmans College, Assistant Professor (Stage-3) of ChemistryVerified email at sbcollege.ac.in
