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Lupeol inhibits pesticides induced hepatotoxicity via reducing oxidative stress and inflammatory markers in rats

Food and chemical toxicology, 2022-06, Vol.164, p.113068-113068, Article 113068

2022

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Molecular modelling and vibrational investigations of ammonium-based ionic liquid (CLTOAB)

Journal of biomolecular structure & dynamics, 2019-07, Vol.37 (10), p.2515-2526

2019

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Molecular Structure, Molecular Docking and Absorption, Distribution, Metabolism, Excretion and Toxicity study of cellulose II

Journal of the Chinese Chemical Society (Taipei), 2021-07, Vol.68 (7), p.1250-1262

2021

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Synthesis, molecular docking and ADMET study of ionic liquid as anticancer inhibitors of DNA and COX-2, TOPII enzymes

Journal of biomolecular structure & dynamics, 2020-03, Vol.38 (5), p.1354-1364

2020

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Synthesis, vibrational spectroscopic investigation, molecular docking, antibacterial and antimicrobial studies of a new anthraquinone derivative compound

Spectroscopy letters, 2022-04, Vol.55 (4), p.259-277

2022

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In Silico design of AVP (4–5) peptide and synthesis, characterization and in vitro activity of chitosan nanoparticles

Daru, 2020-06, Vol.28 (1), p.139-157

2020

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Novel NAC-loaded poly(lactide-co-glycolide acid) nanoparticles for cataract treatment: preparation, characterization, evaluation of structure, cytotoxicity, and molecular docking studies

PeerJ (San Francisco, CA), 2018-01, Vol.6, p.e4270-e4270, Article e4270

2018

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Structural and vibrational investigations and molecular docking studies of a vinca alkoloid, vinorelbine

Journal of biomolecular structure & dynamics, 2023-11, Vol.41 (19), p.9666-9685

2023

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Molecular modeling, DFT quantum chemical analysis, and molecular docking on edotecarin, an indolocarbazole anticancer agent

Molecular Crystals and Liquid Crystals, 2023-03, Vol.753 (1), p.27-49

2023

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Structural, spectroscopic, in silico, in vitro and DNA binding evaluations of tyrosyl-lysyl-threonine

Journal of biomolecular structure & dynamics, 2022-01, Vol.40 (22), p.12148-12164

2022

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Vibrational spectroscopic characterization and structural investigations of Cepharanthine, a natural alkaloid

Journal of molecular structure, 2022-06, Vol.1258, p.132693, Article 132693

2022

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Papain Loaded Poly(ε-Caprolactone) Nanoparticles: In-silico and In-Vitro Studies

Journal of fluorescence, 2018-09, Vol.28 (5), p.1127-1142

2018

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Shedding light into the biological activity of aminopterin, via molecular structural, docking, and molecular dynamics analyses

Journal of biomolecular structure & dynamics, 2024-10, Vol.42 (15), p.1-7794

2024

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In silico Analysis of Sulpiride, Synthesis, Characterization and In vitro Studies of its Nanoparticle for the Treatment of Schizophrenia

Current computer-aided drug design, 2020-01, Vol.16 (2), p.104-121

2020

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Structural and spectral analysis of anticancer active cyclo(Ala-His) dipeptide

Journal of biomolecular structure & dynamics, 2022-02, Vol.40 (2), p.660-672

2022

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Conformational analysis and vibrational spectroscopic investigation of l-proline–tyrosine ( l-Pro–Tyr) dipeptide

Journal of molecular structure, 2011-05, Vol.993 (1), p.349-356

2011

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Synthesis, antimicrobial activity, molecular docking and ADMET study of a caprolactam-glycine cluster

Journal of biomolecular structure & dynamics, 2021-04, Vol.39 (7), p.2376-2386

2021

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Synthesis, molecular modelling, FT-IR, Raman and NMR characterization, molecular docking and ADMET study of new nickel(II) complex with an N4-tetradentate thiosemicarbazone

Journal of biomolecular structure & dynamics, 2021-08, Vol.39 (12), p.4212-4224

2021

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Vibrational spectroscopic and structural investigations of bioactive molecule Glycyl-Tyrosine (Gly-Tyr)

Vibrational spectroscopy, 2017-09, Vol.92, p.287-297

2017

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Conformational analysis of milk derived tripeptides, IPP, VPP and LPP, and investigation of their anti-COVID-19 potentials by molecular docking and molecular dynamics studies

Molecular Crystals and Liquid Crystals, 2024-03, Vol.768 (5), p.116-131

2024

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Raman spectroscopic investigation of the wear effect on the titanium carbonitride/aluminum oxide/titanium nitride coated cutting tool

Spectroscopy letters, 2022-03, Vol.55 (3), p.172-182

2022

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Vibrational Spectroscopic and Molecular Docking Studies of Amrinone, a Cardiotonic Inotropic Drug

Optics and spectroscopy, 2023-07, Vol.131 (7), p.489-503

2023

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Vibrational spectroscopic characterization, quantum chemical and molecular docking studies of Valyl-Methionine dipeptide

Spectroscopy letters, 2020-10, Vol.53 (9), p.648-663

2020

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Synthesis, FT-IR and NMR characterization, antimicrobial activity, cytotoxicity and DNA docking analysis of a new anthraquinone derivate compound

Journal of biomolecular structure & dynamics, 2020-02, Vol.38 (3), p.756-770

2020

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Synthesis, Molecular modelling, FT-IR, Raman and NMR characterization, Molecular Docking and ADMET Study of New Nickel(II) complex with an N 4 -tetradentate thiosemicarbazone

Journal of biomolecular structure & dynamics, 2021-08, Vol.39 (12), p.1-4224

2021

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Lupeol inhibits pesticides induced hepatotoxicity via reducing oxidative stress and inflammatory markers in rats

Molecular modelling and vibrational investigations of ammonium-based ionic liquid (CLTOAB)

Molecular Structure, Molecular Docking and Absorption, Distribution, Metabolism, Excretion and Toxicity study of cellulose II

Synthesis, molecular docking and ADMET study of ionic liquid as anticancer inhibitors of DNA and COX-2, TOPII enzymes

Synthesis, vibrational spectroscopic investigation, molecular docking, antibacterial and antimicrobial studies of a new anthraquinone derivative compound

In Silico design of AVP (4–5) peptide and synthesis, characterization and in vitro activity of chitosan nanoparticles

Novel NAC-loaded poly(lactide-co-glycolide acid) nanoparticles for cataract treatment: preparation, characterization, evaluation of structure, cytotoxicity, and molecular docking studies

Structural and vibrational investigations and molecular docking studies of a vinca alkoloid, vinorelbine

Molecular modeling, DFT quantum chemical analysis, and molecular docking on edotecarin, an indolocarbazole anticancer agent

Structural, spectroscopic, in silico, in vitro and DNA binding evaluations of tyrosyl-lysyl-threonine

Vibrational spectroscopic characterization and structural investigations of Cepharanthine, a natural alkaloid

Papain Loaded Poly(ε-Caprolactone) Nanoparticles: In-silico and In-Vitro Studies

Shedding light into the biological activity of aminopterin, via molecular structural, docking, and molecular dynamics analyses

In silico Analysis of Sulpiride, Synthesis, Characterization and In vitro Studies of its Nanoparticle for the Treatment of Schizophrenia

Structural and spectral analysis of anticancer active cyclo(Ala-His) dipeptide

Conformational analysis and vibrational spectroscopic investigation of l-proline–tyrosine ( l-Pro–Tyr) dipeptide

Synthesis, antimicrobial activity, molecular docking and ADMET study of a caprolactam-glycine cluster

Synthesis, molecular modelling, FT-IR, Raman and NMR characterization, molecular docking and ADMET study of new nickel(II) complex with an N4-tetradentate thiosemicarbazone

Vibrational spectroscopic and structural investigations of bioactive molecule Glycyl-Tyrosine (Gly-Tyr)

Conformational analysis of milk derived tripeptides, IPP, VPP and LPP, and investigation of their anti-COVID-19 potentials by molecular docking and molecular dynamics studies

Raman spectroscopic investigation of the wear effect on the titanium carbonitride/aluminum oxide/titanium nitride coated cutting tool

Vibrational Spectroscopic and Molecular Docking Studies of Amrinone, a Cardiotonic Inotropic Drug

Vibrational spectroscopic characterization, quantum chemical and molecular docking studies of Valyl-Methionine dipeptide

Synthesis, FT-IR and NMR characterization, antimicrobial activity, cytotoxicity and DNA docking analysis of a new anthraquinone derivate compound

Synthesis, Molecular modelling, FT-IR, Raman and NMR characterization, Molecular Docking and ADMET Study of New Nickel(II) complex with an N 4 -tetradentate thiosemicarbazone

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