J. Prasana

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Spectroscopic and quantum/classical mechanics based computational studies to compare the ability of Andrographolide and its derivative to inhibit Nitric Oxide Synthase.

Christina Susan Abraham, S. Muthu, Ben Geoffrey A.S., 2019, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach

S. Muthu, Stevan Armaković, J. Prasana, 2019, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy.

Vibrational spectroscopic (FT-IR, FT-Raman) and quantum mechanical study of 4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f] [1,2,4]triazolo[4,3-a][1,4] diazepine

S. Muthu, J. Prasana, Tintu K. Kuruvilla, 2018 .

Growth and characterization of a cyclohexanone based chalcone crystal 2(E)-(4-N,N-dimethylaminobenzylidene)-5-methylcyclohexanone for nonlinear optical applications

D. Jonathan, R. Ragu, J. Prasana, 2020 .

Structural, optical, thermal, dielectric and Z-scan study on novel (2E)-1-(4-aminophenyl)-3-(4-benzyloxyphenyl)-prop-2-en-1-one (APBPP) chalcone crystal for nonlinear optical applications

D. Jonathan, R. Ragu, J. Prasana, 2020 .

Molecular Structure, Spectroscopic, Quantum Computational, and Molecular Docking Investigations on Propyl Gallate

J. Prasana, S. Muthu, E. E., 2022, Polycyclic Aromatic Compounds.

Molecular structure and third-order non-linear optical properties of two novel tetralone-based chalcone derivatives: Promising materials for optical limiting applications

P. S. Patil, J. Prasana, J. C. Jebapriya, 2022, Journal of Physics and Chemistry of Solids.

Comprehensive spectroscopic (FT-IR, FT-Raman, 1H and 13C NMR) identification and computational studies on 1-acetyl-1H-indole-2,3-dione

M. Attia, J. Prasana, S. Muthu, 2017 .

Crystal structure, physico-chemical and third order nonlinear traits of the novel (2E)-1-(3,4-dimethoxyphenyl)-3-(4-propoxyphenyl) prop-2-en-1-one (DMPP) chalcone single crystal

D. Jonathan, R. Ragu, M. Nizammohideen, 2021 .

Quantum Mechanical Calculations and Spectroscopic ( FTIR , FT-Raman ) Investigation on 1-cyclohexyl-1-phenyl-3-( piperidin-1-yl ) propan-1-ol , by density functional method

S. Muthu, J. Prasana, Tintu K. Kuruvilla, 2017 .

Quantum computational studies, spectroscopic (FT-IR, FT-Raman and UV–Vis) profiling, natural hybrid orbital and molecular docking analysis on 2,4 Dibromoaniline

Christina Susan Abraham, S. Muthu, J. Prasana, 2018 .

Quantum mechanical and spectroscopic (FT-IR, FT-Raman) study, NBO analysis, HOMO-LUMO, first order hyperpolarizability and molecular docking study of methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine by density functional method.

S. Muthu, J. Prasana, Sheril Ann Mathew, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic (FT-IR, FT Raman and UV-Vis), Quantum Computational and Molecular Docking studies on Propylthiouracil

S. Muthu, J. Prasana, F. Rizwana B., 2021, Analytical Chemistry Letters.

Vibrational spectroscopic, DFT studies and molecular docking on (2R)-2-acetamido-N-benzyl-3-methoxy propanamide as an antineuropathic pain drug

S. Muthu, J. Prasana, M. Varghese, 2020 .

Spectroscopic (FT-IR and FT-Raman), quantum computational (DFT) and molecular docking studies on 2(E)-(4-N,N-dimethylaminobenzylidene)-5-methylcyclohexanone

S. Muthu, J. Prasana, J. C. Jebapriya, 2020 .

Crystal structure, synthesis, growth and characterization of a non-linear chalcone crystal: (2E)-1-(4-chlorophenyl)-3-(4-diethylaminophenyl)-prop-2-en-1-one

P. S. Patil, D. Jonathan, J. Prasana, 2021 .

Structural Elucidation, Growth and Characterization of (E)-2-(4-dimethylamino) (benzylidine)-3, 4-dihyronapthalen-1(2H) -one Single crystal for Nonlinear Optical Applications

D. Jonathan, J. Prasana, V. Vishwanathan, 2022, Journal of Molecular Structure.

Quantum mechanical, spectroscopic and docking studies of 2-Amino-3-bromo-5-nitropyridine by Density Functional Method.

Christina Susan Abraham, S. Muthu, J. Prasana, 2017, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic (FT-IR, FT-Raman) investigation, topology (ESP, ELF, LOL) analyses, charge transfer excitation and molecular docking (dengue, HCV) studies on ribavirin

Christina Susan Abraham, J. Prasana, C. Abraham, 2018, Chemical Data Collections.

Spectroscopic (FT-IR, FT-Raman), quantum mechanical and docking studies on methyl[(3S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl]amine

S. Muthu, J. Prasana, S. Sevvanthi, 2019, Journal of Molecular Structure.

Spectroscopic (FT-IR, FT Raman) and quantum mechanical study on N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide

S. Muthu, J. Prasana, Tintu K. Kuruvilla, 2018, Journal of Molecular Structure.

Spectroscopic investigation, hirshfeld surface analysis and molecular docking studies on anti-viral drug entecavir

S. Muthu, J. Prasana, C. Abraham, 2018, Journal of Molecular Structure.

Molecular docking studies, charge transfer excitation and wave function analyses (ESP, ELF, LOL) on valacyclovir : A potential antiviral drug

S. Muthu, B. FathimaRizwana, Johanan Christian Prasana, 2019, Comput. Biol. Chem..

Spectroscopic profiling and molecular docking of novel chalcone derivative (2E)-1-(3,4-dimethoxyphenyl)-3-(4-n-propyloxyphenyl)-2-propen-1-one- A prospective respiratory drug

J. Prasana, T. Clara, N. Prabhu, 2022, Journal of Molecular Structure.

Wavefunction analysis, charge transfer and molecular docking studies on famciclovir and entecavir: Potential anti-viral drugs

S. Muthu, J. Prasana, C. Abraham, 2020 .

Molecular docking, spectroscopic studies on 4-[2-(Dipropylamino) ethyl]-1,3-dihydro-2H-indol-2-one and QSAR study of a group of dopamine agonists by density functional method.

S. Muthu, J. Prasana, Ben Geoffrey, 2019, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Evaluation of electronic and biological interactions between N-[4-(Ethylsulfamoyl)phenyl]acetamide and some polar liquids (IEFPCM solvation model) with Fukui function and molecular docking analysis

G. Bharathy, A. Irfan, A. Saral, 2021 .

Spectroscopic elucidation (FT-IR, FT-Raman and UV-visible) with NBO, NLO, ELF, LOL, drug likeness and molecular docking analysis on 1-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole: An antiprotozoal agent

B. FathimaRizwana, Johanan Christian Prasana, S. Muthu, 2020, Comput. Biol. Chem..

Spectroscopic and quantum computational study on naproxen sodium.

S. Muthu, J. Prasana, B. Raajaraman, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic profiling (FT-IR, FT-Raman, NMR and UV-Vis), autoxidation mechanism (H-BDE) and molecular docking investigation of 3-(4-chlorophenyl)-N, N-dimethyl-3-pyridin-2-ylpropan-1-amine by DFT/TD-DFT and molecular dynamics: A potential SSRI drug

B. FathimaRizwana, Johanan Christian Prasana, Christina Susan Abraham, 2018, Comput. Biol. Chem..

Spectroscopic (FT-IR, FT-Raman, NMR) investigation on 2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl(2S)-2-amino-3-methylbutanoate by Density Functional Theory

S. Muthu, J. Prasana, C. Abraham, 2019, Materials Today: Proceedings.

Experimental and theoretical spectroscopic (FT-IR, FT-Raman, UV-VIS) analysis, natural bonding orbitals and molecular docking studies on 2-bromo-6-methoxynaphthalene: A potential anti-cancer drug

S. Muthu, J. Prasana, J. George, 2021, Heliyon.

Vibrational and electronic absorption spectroscopic profiling, natural hybrid orbital, charge transfer, electron localization function and molecular docking analysis on 3-amino-3-(2-nitrophenyl) propionic acid

Christina Susan Abraham, S. Muthu, Stevan Armaković, 2018, Journal of Molecular Structure.

Evaluation of vibrational, electronic, reactivity and bioactivity of propafenone—A spectroscopic, DFT and molecular docking approach

S. Muthu, J. Prasana, Tintu K. Kuruvilla, 2020 .

Vibrational spectroscopy, reactive site analysis and molecular docking studies on 2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]-3-hydroxypropyl (2S)-2-amino-3-methylbutanoate

Christina Susan Abraham, S. Muthu, J. Prasana, 2020 .

Structure–Activity relationship studies of two dietary flavonoids and their Nitric Oxide Synthase inhibition activity by spectroscopic and quantum/classical computational techniques

J. Prasana, C. Abraham, H. David, 2019, Journal of Theoretical and Computational Chemistry.

(E)-1-(4-Aminophenyl)-3-[4-(benzyloxy)phenyl]prop-2-en-1-one

D. Jonathan, B. Revathi, G. Usha, 2016 .

Evaluation of Vibrational, Electronic, Topology, Reactivity, Bioactivity, Bioavailability and Blood-Brain Barrier Score of 1-(2,6-dimethylphenoxy)propan-2-amine-A DFT, Spectro-scopic and Molecular Docking Approach

S. Muthu, J. Prasana, Tintu K. Kuruvilla, 2022, Analytical Chemistry Letters.

Synthesis, Crystal Structure, and Computational Investigations of 2-(2-(4-Fluorophenyl)-2-oxoethyl)-6-methyl-5-(4-methylbenzyl)pyridazin-3(2H)-one as Antiviral Agent

Christina Susan Abraham, S. Muthu, N. Benchat, 2023, Crystals.

Density functional studies and spectroscopic analysis (FT-IR, FT-Raman, UV–visible, and NMR)with molecular docking approach on an antifibrotic drug Pirfenidone

P. Manjusha, S. Muthu, J. Prasana, 2020 .

A computational and spectroscopic interpretation (FT-IR, FT-Raman, UV–vis and NMR) with molecular docking studies on 3-carboxy-2-hydroxy-N, N, N-trimethyl-1-propanaminium hydroxide: A pharmaceutical drug

P. Manjusha, S. Muthu, J. Prasana, 2019, Chemical Data Collections.

Quantum mechanical, spectroscopic, docking studies (dementia & breast cancer) and in-vitro assays of phytochemical compound Dehydrozingerone by DFT

S. Kadaikunnan, J. Prasana, Naiyf S. Alharbi, 2024, Journal of Molecular Structure.