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Investigating binding dynamics of trans resveratrol to HSA for an efficient displacement of aflatoxin B1 using spectroscopy and molecular simulation

Scientific reports, 2022-02, Vol.12 (1), p.2400-2400, Article 2400

2022

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Biochemical Characterization of Cellulase From Bacillus subtilis Strain and its Effect on Digestibility and Structural Modifications of Lignocellulose Rich Biomass

Frontiers in bioengineering and biotechnology, 2021-12, Vol.9, p.800265-800265

2021

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Experimental Spectroscopic, Computational, Hirshfeld Surface, Molecular Docking Investigations on 1H-Indole-3-Carbaldehyde

Polycyclic aromatic compounds, 2023-02, Vol.43 (2), p.1263-1287

2023

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A Review on the Therapeutic Role of TKIs in Case of CML in Combination With Epigenetic Drugs

Frontiers in genetics, 2021-10, Vol.12, p.742802-742802

2021

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Spectroscopic Quantum Chemical and Molecular Docking Study of 5,7-Dibromo-8-Quinolinol and Its Spectrophotometrically Investigated Niobium (V) Complex

Polycyclic aromatic compounds, 2023-07, Vol.43 (6), p.5233-5250

2023

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Exploration of Experimental, Theoretical, Molecular Docking, and Electronic Excitation Studies of Carboxylate-Appended (2-Pyridyl)Alkylamine Ligand

Polycyclic aromatic compounds, 2024-04, Vol.44 (4), p.2802-2819

2024

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Silver nanoparticles synthesized using leaf extract of Azadirachta indica exhibit enhanced antimicrobial efficacy than the chemically synthesized nanoparticles: A comparative study

Science progress (1916), 2021-04, Vol.104 (2), p.368504211012159

2021

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Crystal Structure, Topology, DFT and Hirshfeld Surface Analysis of a Novel Charge Transfer Complex (L3) of Anthraquinone and 4-{[(anthracen-9-yl)meth-yl] amino}-benzoic Acid (L2) Exhibiting Photocatalytic Properties: An Experimental and Theoretical Approach

Molecules (Basel, Switzerland), 2022-03, Vol.27 (5), p.1724

2022

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Functionalization of Inorganic Nanoparticles to Augment Antimicrobial Efficiency: A Critical Analysis

Current pharmaceutical biotechnology, 2018-01, Vol.19 (7), p.523-536

2018

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Optimization of Fermentation Parameters for Higher Lovastatin Production in Red Mold Rice through Co-culture of Monascus purpureus and Monascus ruber

Food and bioprocess technology, 2010-06, Vol.3 (3), p.373-378

2010

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Copper(II) Monomer Bearing Phenolate-Based Ligand: Theoretical and Experimental Visions

Polycyclic aromatic compounds, 2023-04, Vol.43 (4), p.3489-3501

2023

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Chitinases: An update

Journal of pharmacy & bioallied science, 2013-01, Vol.5 (1), p.21-29

2013

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Synthesis, Spectroscopic, Crystal Structure, DFT, Hirshfeld Surface and Molecular Docking Analysis of Hexahydroquinoline Derivative (HQ)

Polycyclic aromatic compounds, 2023-05, Vol.43 (5), p.4242-4270

2023

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Synthesis, Characterization, Crystal Structure, Hirshfeld Surface, Electronic Excitation, Molecular Docking, and DFT Studies on 2-Amino Thiophene Derivative

Polycyclic aromatic compounds, 2023-02, Vol.43 (2), p.1644-1675

2023

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Vibrational spectra, molecular level solvent interaction, stabilization, donor- acceptor energies, thermodynamic, non-covalent interaction and electronic behaviors of 6-Methoxyisoquinoline- anti tubercular agent

Chemical physics impact, 2024-06, Vol.8, p.100392, Article 100392

2024

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Experimental Spectroscopic, DFT, Molecular Docking, and Molecular Dynamics Simulation Investigations on m-Phenylenediamine (Monomer and Trimer)

Polycyclic aromatic compounds, 2023-11, Vol.43 (10), p.8599-8631

2023

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Experimental Spectroscopic, Structural (Monomer and Dimer), Molecular Docking, Molecular Dynamics Simulation and Hirshfeld Surface Analysis of 2-Amino-6-Methylpyridine

Polycyclic aromatic compounds, 2023-05, Vol.43 (5), p.3910-3940

2023

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Gonadotropin and tumorigenesis: Direct and indirect effects on inflammatory and immunosuppressive mediators and invasion

Molecular carcinogenesis, 2017-02, Vol.56 (2), p.359-370

2017

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Quantum Computational, Spectroscopic, Hirshfeld Surface Analysis of 3-Picoline (Monomer and Dimer) by DFT/TD-DFT with Different Solvents, Molecular Docking, and Molecular Dynamic Studies

Polycyclic aromatic compounds, 2023-10, Vol.43 (9), p.7828-7852

2023

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Carbothioamide Based Pyrazoline Derivative: Synthesis, Single Crystal Structure, DFT/TD-DFT, Hirshfeld Surface Analysis and Biological Studies

Polycyclic aromatic compounds, 2023-08, Vol.43 (7), p.6181-6201

2023

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Oxadiazole Schiff Base as Fe3+ Ion Chemosensor: “Turn-off” Fluorescent, Biological and Computational Studies

Journal of fluorescence, 2023-03, Vol.33 (2), p.751-772

2023

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Electron acceptor, excitation energies, oscillatory strength, spectroscopic and solvent effects on 5-amino-4,6-dichloro-2-(propylthio) pyrimidine - anticancer agent

Chemical physics impact, 2023-06, Vol.6, p.100145, Article 100145

2023

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Spectroscopic, Computational, Molecular Docking and Dynamics Simulations Studies of 4-Amino-3-hydroxyNaphthalene-1-Sulfonic Acid (ANSA)

Polycyclic aromatic compounds, 2024-07, Vol.44 (6), p.3787-3806

2024

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Dinuclear Phenoxo-Bridged Nickel(II) and Copper(II) Complexes of Phenolate-Based Tripodal Ligand: Theoretical and Experimental Insights

Polycyclic aromatic compounds, 2024-01, Vol.44 (1), p.313-332

2024

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Aflatoxin B1 Induced Structural and Conformational Changes in Bovine Serum Albumin: A Multispectroscopic and Circular Dichroism-Based Study

ACS omega, 2021-07, Vol.6 (28), p.18054-18064

2021

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Investigating binding dynamics of trans resveratrol to HSA for an efficient displacement of aflatoxin B1 using spectroscopy and molecular simulation

Biochemical Characterization of Cellulase From Bacillus subtilis Strain and its Effect on Digestibility and Structural Modifications of Lignocellulose Rich Biomass

Experimental Spectroscopic, Computational, Hirshfeld Surface, Molecular Docking Investigations on 1H-Indole-3-Carbaldehyde

A Review on the Therapeutic Role of TKIs in Case of CML in Combination With Epigenetic Drugs

Spectroscopic Quantum Chemical and Molecular Docking Study of 5,7-Dibromo-8-Quinolinol and Its Spectrophotometrically Investigated Niobium (V) Complex

Exploration of Experimental, Theoretical, Molecular Docking, and Electronic Excitation Studies of Carboxylate-Appended (2-Pyridyl)Alkylamine Ligand

Silver nanoparticles synthesized using leaf extract of Azadirachta indica exhibit enhanced antimicrobial efficacy than the chemically synthesized nanoparticles: A comparative study

Crystal Structure, Topology, DFT and Hirshfeld Surface Analysis of a Novel Charge Transfer Complex (L3) of Anthraquinone and 4-{[(anthracen-9-yl)meth-yl] amino}-benzoic Acid (L2) Exhibiting Photocatalytic Properties: An Experimental and Theoretical Approach

Functionalization of Inorganic Nanoparticles to Augment Antimicrobial Efficiency: A Critical Analysis

Optimization of Fermentation Parameters for Higher Lovastatin Production in Red Mold Rice through Co-culture of Monascus purpureus and Monascus ruber

Copper(II) Monomer Bearing Phenolate-Based Ligand: Theoretical and Experimental Visions

Chitinases: An update

Synthesis, Spectroscopic, Crystal Structure, DFT, Hirshfeld Surface and Molecular Docking Analysis of Hexahydroquinoline Derivative (HQ)

Synthesis, Characterization, Crystal Structure, Hirshfeld Surface, Electronic Excitation, Molecular Docking, and DFT Studies on 2-Amino Thiophene Derivative

Vibrational spectra, molecular level solvent interaction, stabilization, donor- acceptor energies, thermodynamic, non-covalent interaction and electronic behaviors of 6-Methoxyisoquinoline- anti tubercular agent

Experimental Spectroscopic, DFT, Molecular Docking, and Molecular Dynamics Simulation Investigations on m-Phenylenediamine (Monomer and Trimer)

Experimental Spectroscopic, Structural (Monomer and Dimer), Molecular Docking, Molecular Dynamics Simulation and Hirshfeld Surface Analysis of 2-Amino-6-Methylpyridine

Gonadotropin and tumorigenesis: Direct and indirect effects on inflammatory and immunosuppressive mediators and invasion

Quantum Computational, Spectroscopic, Hirshfeld Surface Analysis of 3-Picoline (Monomer and Dimer) by DFT/TD-DFT with Different Solvents, Molecular Docking, and Molecular Dynamic Studies

Carbothioamide Based Pyrazoline Derivative: Synthesis, Single Crystal Structure, DFT/TD-DFT, Hirshfeld Surface Analysis and Biological Studies

Oxadiazole Schiff Base as Fe3+ Ion Chemosensor: “Turn-off” Fluorescent, Biological and Computational Studies

Electron acceptor, excitation energies, oscillatory strength, spectroscopic and solvent effects on 5-amino-4,6-dichloro-2-(propylthio) pyrimidine - anticancer agent

Spectroscopic, Computational, Molecular Docking and Dynamics Simulations Studies of 4-Amino-3-hydroxyNaphthalene-1-Sulfonic Acid (ANSA)

Dinuclear Phenoxo-Bridged Nickel(II) and Copper(II) Complexes of Phenolate-Based Tripodal Ligand: Theoretical and Experimental Insights

Aflatoxin B1 Induced Structural and Conformational Changes in Bovine Serum Albumin: A Multispectroscopic and Circular Dichroism-Based Study

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