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

Nabil Al‐Zaqri, T. Pooventhiran, Ali Alsalme, +3

Journal of Molecular Liquids

Physico-chemical EvaluationNovel Coronavirus ProteinsBiochemistryNatural SciencesSolution-state Excited Properties +5

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

T. Pooventhiran, Utsab Bhattacharyya, D. Jagadeeswara Rao, +5

Structural Chemistry

Chemical EngineeringDifferent Solvent AtmosphereEngineeringPhysicochemical AnalysisNatural Sciences +8

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

Ali Alsalme, T. Pooventhiran, Nabil Al‐Zaqri, +2

Journal of Molecular Liquids

Graphene NanomeshesChemical EngineeringGraphene Quantum DotEngineeringCarbon-based Material +9

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

P. Surendar, T. Pooventhiran, Shameela Rajam, +3

Journal of Molecular Liquids

EngineeringQuantum Mechanical StudiesOrganic ChemistryAntiarthritic ActivitiesChemistry +4

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

T. Pooventhiran, Nabil Al‐Zaqri, Ali Alsalme, +2

Journal of Molecular Liquids

Materials ScienceGraphene NanomeshesNanosheetEngineeringCarbon-based Material +10

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

Nabil Al‐Zaqri, T. Pooventhiran, D. Jagadeeswara Rao, +3

Journal of Molecular Structure

Conformational DynamicsBiophysical ModelingMechanical StudiesMedicineBiophysical Aspect +7

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

Ali Alsalme, T. Pooventhiran, Nabil Al‐Zaqri, +3

Journal of Molecular Modeling

Reactivity LandscapesPotential Antiviral ActivityMedicinal ChemistrySynthetic VirologyNatural Sciences +10

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

P. Surendar, T. Pooventhiran, Nabil Al‐Zaqri, +3

Journal of Molecular Liquids

Combinatorial ChemistryBiochemistryNatural SciencesQuantum Mechanical StudiesStructural Interpretation +4

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

Kotyada Suryanarayana, Alice Rinky Robert, Nagaraju Kerru, +4

Journal of Molecular Structure

Combinatorial ChemistryMedicinal ChemistryDerivative (Chemistry)Natural SciencesMedicine +8

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

Katta Eswar Srikanth, A. Veeraiah, T. Pooventhiran, +4

Heliyon