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
72 * 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
58 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
53 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
51 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
51 2020 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
50 * 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
48 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
48 2021 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
36 2021 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
31 2023 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
29 * 2020 Schiff Bases from P Surendar, T Pooventhiran, S Rajam, A Irfan, R Thomas
Journal of Computational Biophysics and Chemistry 21 (01), 1-22, 2022
28 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
28 2021 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
28 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
27 2022 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
27 2020 Evaluation of the corrosion inhibition of mild steel by newly synthesized imidazo[1,2-a]pyridine derivatives: experimental and theoretical investigation AOAEA Walid Daoudi, Lei Guo, Mohamed Azzouzi, Thangaiyan Pooventhiran, Ali ...
JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY, 2023
26 2023 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
26 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
26 * 2020 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
22 2022 
Renjith ThomasSt Berchmans College, Associate Professor of ChemistryZweryfikowany adres z sbcollege.ac.in
