S. Muthu

发表

Antagonistic and antioxidant potencies of Centrosema pubescens benth extracts against nosocomial infection pathogens

K. Rajendran, M. Murugan, Thamaraikani Velmurugan, 2020 .

An Assessment of Proximate Composition, Antioxidant Activities and LC/MS Based Phytochemical Profiling of Some Lichen Species Collected From Western Ghats of Southern Part of India

K. Rajendran, M. Murugan, S. Muthu, 2021, Jordan Journal of Biological Sciences.

Quantum computational, spectroscopic, topological investigations and molecular docking studies on piperazine derivatives: a comparative study on Ethyl, Benzene and Furan sulfonyl Piperazine

A. Irfan, S. Javed, S. Sevvanthi, 2022, Journal of Molecular Structure.

Structural, spectroscopic and quantum chemical analysis of an exocyclic extended double-bonded chalcone single crystal, with pharmaceutical scanning for breast cancer using MCF-7 cell line and EGFR domain target

D. Jonathan, J. Hemalatha, G. Usha, 2022, Journal of Molecular Structure.

Structural, spectral inspection, electronic properties in different solvents, Fukui functions, 6-acetyl-2H-1,4-benzoxazin-3(4H)-one – Multiple sclerosis and Auto immune disorders therapeutics

A. Irfan, R. Rathikha, M. Vennila, 2022, Journal of Molecular Liquids.

Phenolic and flavonoid contents in Malva sylvestris and exploration of active drugs as antioxidant and anti-COVID19 by quantum chemical and molecular docking studies

M. Shahzad, Renjith Thomas, Muhammad Imran, 2021 .

Solvent polarity, Structural and Electronic Properties with Different Solvents and Biological Studies of 3,3,5-triphenylfuran-2(3H)-one- Cancers of the blood cells

A. Irfan, A. Saral, R. Datta, 2022, Journal of Molecular Liquids.

Bonding nature, nucleophilic reactivity and Electron excitation of NLO active 2,6 Dichloroindophenol Sodium Salt (Polar and Non Polar Solvents) with Topology analysis- Bacterial pathogens study

A. Irfan, V. Bena Jothy, S. Muthu, 2022, Journal of Molecular Liquids.

Theoretical conformations studies on 2-Acetyl-gamma-butyrolactone structure and stability in aqueous phase and the solvation effects on electronic properties by quantum computational methods

A. Irfan, P. Prabakaran, S. Muthu, 2021, Computational and Theoretical Chemistry.

Theoretical structural analysis (FT-IR, FT-R), solvent effect on electronic parameters NLOf, FMO, NBO, MEP, UV (IEFPCM model), Fukui function evaluation with pharmacological analysis on methyl nicotinate

A. Irfan, R. Rathikha, M. Vennila, 2022, Computational and Theoretical Chemistry.

Spectral characterization, solvation effects on topological aspects, and biological attributes of Fmoc-L-glutamic acid 5-tert-butyl ester: An effective reagent in anticancer evaluations

M. Thirunavukkarasu, A. Irfan, S. Javed, 2022, Journal of Molecular Structure.

The chemical reactivity and antimalarial investigation of crystal structure (2E)-3-(biphenyl-4-yl)-1-(4-chlorophenyl)prop-2-en-1-one and hydroxyphenyl, nitrophenyl substituted chalcone derivative molecules

A. Irfan, S. Javed, B. Narayana, 2023, Journal of Molecular Structure.

Covalent interaction, solvent effects, electrochemical, and spectroscopic characterization of novel (4Z)-4-{2-[amino(hydroxy)methyl]hydrazinylidene}-2,6-di(furan-2-yl)-3-methylpiperidin-1-ol derivative- anti-microbial activity study

M. Thirunavukkarasu, G. Baskar, S. Muthu, 2023, Journal of Molecular Liquids.

Solvent role in molecular structure, thermodynamic quantities, reactions and electronic transitions (TDDFT) on 2-[piperidin-1-yl] phenol

A. Irfan, S. Muthu, M. Vimala, 2023, Journal of Molecular Liquids.

Structural vibrational analysis (FT-IR, FT-Raman), electronic studies based on solvents (UV–Vis, non-linear optics, frontier molecular orbitals, molecular electrostatic potential, natural bond orbital and Fukui evaluation) and Hirshfeld surface analysis on 4-chloroacetophenone

A. Irfan, A. Senthil, R. Rathikha, 2022, Journal of the Indian Chemical Society.

Experimental spectral investigations for structural, electronic, topological properties and molecular docking studies of 2-cyclohexylidene hydrazine carbaxamide

A. Irfan, A. Saral, R. N. Devi, 2023, Journal of the Indian Chemical Society.

Molecular structure, spectral, computational, IEFPCM investigation, and topological study on the biologically potent; cardiotonic drug 2-Chloroquinolin-3-amine with structural optimization

M. Thirunavukkarasu, A. Saral, S. Muthu, 2023, Chemical Physics Impact.

Solvent effect on molecular, electronic parameters, topological analysis and Fukui function evaluation with biological studies of Imidazo [1, 2-a] pyridine-8-carboxylic acid

A. Irfan, S. Muthu, S. Selvakumari, 2023, Journal of Molecular Liquids.

Solvent –solute interactions, electronic properties, topological and biological explorations of 6-Bromo-7-methylimidazo[1,2-a]pyridine

A. Irfan, S. Muthu, S. Selvakumari, 2023, Journal of Molecular Liquids.

Effect of green solvents physical, chemical, biological and bonding nature on 5-acetyl-thiophene-2-carboxylic acid by DFT and TD-DFT approach – An antiviral agent

A. Irfan, K. Venkata Prasad, N. Sundaraganesan, 2022, Journal of the Indian Chemical Society.

Absorption wavelength (TD-DFT) and adsorption of metal chalcogen clusters with methyl nicotinate: Structural, electronic, IRI, SERS, pharmacological and antiviral studies (HIV and omicron)

A. Irfan, S. Mahalakshmi, S. Muthu, 2023, Heliyon.

Synthesis, solvent polarity(polar and nonpolar), structural and electronic properties with diverse solvents and biological studies of (E)-3-((3-chloro-4-fluorophenyl) imino) indolin-2-one

M. Asif, Ghulam Abbas, V. Bena Jothy, 2023, Journal of Molecular Liquids.

Effect of different solvents, molecular level vibrational energies, electronic, electrostatic, donar-acceptor and pharmaceutical studies on 3-methoxy phenyl acetonitrile- anti depressant agent

S. Kadaikunnan, Ghulam Abbas, S. Rekha, 2023, Journal of Molecular Liquids.

Electron density, charge transfer, solvent effect and molecular spectroscopic studies on 2,2-Dimethyl-N-pyridin-4-yl-propionamide– a potential antioxidant

A. Irfan, N. Sundaraganesan, S. Muthu, 2023, Computational and Theoretical Chemistry.

Effect of green solvents, molecular structure and topological studies on 4-amino-1-β-d-ribofuranosyl-1,3,5 triazin-2(1H)-one - anti-blood cancer agent

M. Thirunavukkarasu, A. Irfan, S. Muthu, 2023, Journal of the Indian Chemical Society.

Molecular level Solvent interaction (microscopic), Electronic, Covalent assembly (RDG, AIM & ELF), ADMET prediction and anti-cancer activity of 1-(4-Fluorophenyl)-1-propanone): cytotoxic agent

M. Thirunavukkarasu, A. Kazachenko, S. Kadaikunnan, 2023, Journal of Molecular Liquids.

Synthesis, DFT, solvent effect and biological attributes of NLO active 4-bromo-2-((2-(2,4-Dinitrophenyl) hydrazono)methyl) phenol -Potent drug anti-brain cancer

Ghulam Abbas, B. Narayana, S. Muthu, 2023, Journal of Molecular Structure.

Importance of solvent roles in molecular, electronic and dynamical properties, thermodynamic quantities, Mulliken charges, reactive analysis and molecular docking of 2-Bromo-1H-imidazole-4,5-dicarbonitrile

A. Irfan, S. Muthu, M. Lawrence, 2023, Journal of Molecular Liquids.

Solvent potential effects (topological aspects, electron excitation), Spectral characterization and biological attributes of NLO active 1-(2,4Dinitrophenyl)-2-((E)-3-phenylallylidene) hydrazine: Multiple anti tuberculosis agent

A. Irfan, B. Narayana, S. Muthu, 2023, Journal of Molecular Liquids.

Synthesis, molecular structure, Experimental and theoretical characterization of 3-((2-(2,4-dinitrophenyl) hydrazone) methyl) pyridine- Carcinopreventive activity (In Silico and In Vitro Investigation)

S. Kadaikunnan, Ghulam Abbas, B. Narayana, 2023, Journal of Molecular Structure.

Molecular structure, electronic, structural, topological analyses with solvents (water, chloroform, acetone and benzene) based on IEFPCM investigation and Hirshfeld analysis on 2-Acetyl Pyridine

A. Senthil, S. Kadaikunnan, Ghulam Abbas, 2023, Journal of Molecular Liquids.

Solvent-solute polarity, electrophilic, steric effects, reactive sites, themodynamic quantities discussion and biological evaluation of lung cancer antiproliferative activities of spirobrassinin derivatives

S. Kadaikunnan, Ghulam Abbas, R. Datta, 2023, Journal of Molecular Liquids.

Synthesis, crystal structure, Static and dynamic properties, molecular structure, reactive sites, wavefunction and molecular docking of 1-(3-((4-(diethylamino)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one

S. Kadaikunnan, N. Dege, A. Agar, 2023, Journal of Molecular Structure.

Solvent role in electronic energies, Experimental Vibrational studies, Surface and biological analysis of Ethyl Gallate: In-vitro Cytotoxicity assay

Ghulam Abbas, S. Muthu, Johanan Christian Prasana, 2023, Journal of Molecular Liquids.

Role of solvents in molecular level interaction, reactivity and Spectral characterisation of 2-Amino-3-(((E)-4-(dimethylamino)benzylidene)amino) maleonitrile: Anti depressant agent

A. Irfan, B. Narayana, S. Muthu, 2023, Journal of Molecular Liquids.

Solute-solvent interactions, Electrostatic & covalent surface analysis, and pharmacokinetic studies via in-silico simulation on diethyl 3-hydroxyglutarate: anti-hypercholesterolemia activity

M. Thirunavukkarasu, S. Muthu, P. Rajesh, 2023, Journal of Molecular Liquids.

Potential energy surface, effect of solvents in molecular level, experimental spectra (FTIR, Raman, UV–visible & NMR), electronic, and dynamics simulation of isobavachalcone –Anti tuberculosis agent

S. Kadaikunnan, Ghulam Abbas, D. Nicksonsebastin, 2023, Journal of Molecular Liquids.

Solvents performance, experimental spectral energies interactions, excitations energies, topological and electrophilic molecular interaction studies on 4?-(bromomethyl)-[1,1?-biphenyl]-2-carbonitrile- antiphobic disorder agent

Ghulam Abbas, F. Akman, K. Potla, 2023, Journal of Molecular Liquids.

In-situ synthesis of dinuclear Iron (III) complex; Crystal structure, DFT calculations, Hirshfield surface analysis, and molecular docking.

C. Anson, Ghulam Abbas, S. Janani, 2023, Journal of Molecular Structure.

Effect of different solvent role, intermolecular forces, Allergies and inflammations receptors (H1R & GPCRs) interactions of (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy] ethyl}-1-ethylpyrrolidine

Ghulam Abbas, G. VijayaKumari, N. Iyandurai, 2023, Journal of Molecular Liquids.