T. Pooventhiran

发表

Structural investigations, quantum mechanical studies on proton and metal affinity and biological activity predictions of selpercatinib

Renjith Thomas, F. Alharthi, N. Al‐Zaqri, 2020, Journal of Molecular Liquids.

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

Renjith Thomas, Jinesh M. Kuthanapillil, P. P. Govender, 2021, Journal of Molecular Modeling.

Indolyl-4H-chromenes: Multicomponent one-pot green synthesis, in vitro and in silico, anticancer and antioxidant studies

Renjith Thomas, T. Pooventhiran, J. Prabhakaran, 2022, Journal of Molecular Structure.

Evidence of significant non-covalent interactions in the solution of Levetiracetam in water and methanol

Renjith Thomas, M. Ibrahim, Z. M. El-Bahy, 2022, Journal of Molecular Liquids.

Design, synthesis, anticancer activity and molecular docking analysis of novel dinitrophenylpyrazole bearing 1,2,3-triazoles

Renjith Thomas, S. Maddila, S. B. Jonnalagadda, 2021 .

Solvent interaction and dynamics of neurotransmitters l-aspartic acid and l-glutamic acid with water and ethanol

Renjith Thomas, T. Pooventhiran, Abdullah Ibrahim Abdullah Alzahrani, 2022, Journal of Molecular Structure.

Organic Quasi-Liquid Schiff Bases from Biomolecules: Synthesis, Structure and Quantum Mechanical Studies

Renjith Thomas, A. Irfan, T. Pooventhiran, 2022, Biointerface Research in Applied Chemistry.

Study of the dynamics of the interaction of glycine and GABA with water and ethanol using theoretical tools

Renjith Thomas, T. Pooventhiran, 2022, Journal of Molecular Liquids.

Study of interaction between different solvents and neurotransmitters dopamine, l-adrenaline, and l-noradrenaline using LED, QTAIM and AIMD

Renjith Thomas, Abdullah Y. Alzahrani, T. Pooventhiran, 2022, Journal of Molecular Liquids.

Structure, conformational dynamics, quantum mechanical studies and potential biological activity analysis of multiple sclerosis medicine ozanimod

Renjith Thomas, A. Alsalme, N. Al‐Zaqri, 2021 .

Detailed spectra, electronic properties, qualitative non-covalent interaction analysis, solvatochromism, docking and molecular dynamics simulations in different solvent atmosphere of cenobamate

Y. Mary, V. Chandramohan, A. Irfan, 2020, Structural Chemistry.

MODELING OF ISOTHERM AND KINETICS OF EQUILIBRIUM SORPTIONOF CHROMIUM HEAVY METAL FROM AQUOUS SOLUTION ON TO ACTIVATED CARBON DERIVED FROM CICCA ACIDA SEEDS

T. Pooventhiran, S. Banu, 2018 .

Unprecedented biological evaluation of Zn(II) complexes supported by “Self-adjustable” acyclic diiminodipyrromethane Schiff’s bases: DFT, molecular docking; biological activity studies

Renjith Thomas, V. Srinivasadesikan, T. Pooventhiran, 2021, Inorganic Chemistry Communications.

Structural and physico-chemical evaluation of melatonin and its solution-state excited properties, with emphasis on its binding with novel coronavirus proteins

Renjith Thomas, A. Alsalme, N. Al‐Zaqri, 2020, Journal of Molecular Liquids.

Synthesis of three quasi liquid Schiff bases between hexanal and adenine, cytosine, and l-leucine, structural interpretation, quantum mechanical studies and biological activity prediction

Renjith Thomas, T. Pooventhiran, S. Rajam, 2021 .

Study of the structural features and solvent effects using ab initio molecular dynamics and energy decomposition analysis of Atogepant in water and ammonia

Renjith Thomas, T. Pooventhiran, Ola A. Abu Ali, 2022, Journal of Molecular Liquids.

Hydrogen bonds between valsartan and solvents (water and methanol): Evidences for solvation dynamics using local energy decomposition and abinitio molecular dynamics analysis

Renjith Thomas, T. Pooventhiran, 2022, Journal of Molecular Liquids.

Structural aspects, conformational preference and other physico-chemical properties of Artesunate and the formation of self-assembly with graphene quantum dots: A first principle analysis and surface enhancement of Raman activity investigation

Renjith Thomas, A. Alsalme, N. Al‐Zaqri, 2020 .

Modelling the structural and reactivity landscapes of tucatinib with special reference to its wavefunction-dependent properties and screening for potential antiviral activity

Renjith Thomas, A. Alsalme, N. Al‐Zaqri, 2020, Journal of Molecular Modeling.

Structural, physico-chemical landscapes, ground state and excited state properties in different solvent atmosphere of Avapritinib and its ultrasensitive detection using SERS/GERS on self-assembly formation with graphene quantum dots

Renjith Thomas, A. Alsalme, N. Al‐Zaqri, 2020 .

Evaluation of the corrosion inhibition of mild steel by newly synthesized imidazo[1,2-a]pyridine derivatives: experimental and theoretical investigation

Ali El Boutaybi, Lei Guo, T. Pooventhiran, 2023, Journal of Adhesion Science and Technology.

Excited-state electronic properties, structural studies, noncovalent interactions, and inhibition of the novel severe acute respiratory syndrome coronavirus 2 proteins in Ripretinib by first-principle simulations

Renjith Thomas, A. Alsalme, F. Alharthi, 2020, Journal of Molecular Liquids.

First-Principle Studies of Istradefylline with Emphasis on the Stability, Reactivity, Interactions and Wavefunction-Dependent Properties

Renjith Thomas, A. Alsalme, N. Al‐Zaqri, 2020, Polycyclic Aromatic Compounds.

Detailed molecular structure (XRD), conformational search, spectroscopic characterization (IR, Raman, UV, fluorescence), quantum mechanical properties and bioactivity prediction of a pyrrole analogue

Renjith Thomas, K. Srikanth, T. Pooventhiran, 2020, Heliyon.

Quasi liquid Schiff bases from trans-2-hexenal and cytosine and l-leucine with potential antieczematic and antiarthritic activities: Synthesis, structure and quantum mechanical studies

Renjith Thomas, T. Pooventhiran, Utsab Bhattacharyya, 2021, Journal of Molecular Liquids.

Synthesis and biological studies of oxoquinolines: Experimental and theoretical investigations

Renjith Thomas, F. Azam, Abuzer Ali, 2022, Journal of Molecular Structure.

Adsorption of the drug bempedoic acid over different 2D/3D nanosurfaces and enhancement of Raman activity enabling ultrasensitive detection: First principle analysis.

Renjith Thomas, T. Pooventhiran, Utsab Bhattacharyya, 2021, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Schiff bases from α-ionone with adenine, cytosine, l-leucine biomolecules: Synthesis, structural features, electronic structure and medicinal activities

Renjith Thomas, A. Irfan, T. Pooventhiran, 2021, Journal of Computational Biophysics and Chemistry.

Synthesis and Biological Evaluation of Octahydroquinazolinones as Phospholipase A2, and Protease Inhibitors: Experimental and Theoretical Exploration

Renjith Thomas, N. Rehman, M. Kamal, 2023, Molecules.

BIOLOGICAL INVESTIGATION OF SUBSTITUTED ACETOPHENONE DERIVED SCHIFF BASE NICKEL (II) COMPLEX

T. Pooventhiran, G. Vijayakumar, 2018 .

Understanding the Electronic Structure of the Alkaloid in Scorpion Venom (ASV) Through Drug Adsorption and Molecular Docking Studies on COVID-19 Proteins

Renjith Thomas, Christian A. Celaya, D. Ampasala, 2023, Chemical Physics Impact.

Complexation between inorganic-fullerene B 12 N 12 nanocage cluster and Schiff’s bases of trans -2-hexenal with cytosine and L-leucine

T. Pooventhiran, P. Surendar, M. Al-Sadoon, 2024, Molecular Physics.