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Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target

Journal of biomolecular structure & dynamics, 2021-09, Vol.39 (13), p.4647-4658

2021

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Repurposing simeprevir, calpain inhibitor IV and a cathepsin F inhibitor against SARS-CoV-2 and insights into their interactions with Mpro

Journal of biomolecular structure & dynamics, 2022-01, Vol.40 (1), p.325-336

2022

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Carboxylic acid derivatives suppress the growth of Aspergillus flavus through the inhibition of fungal alpha-amylase

Journal of biomolecular structure & dynamics, 2024-05, Vol.42 (7), p.3563-3567

2024

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Unveiling the molecular basis of lobeline's allosteric regulation of NMDAR: insights from molecular modeling

Scientific reports, 2023-12, Vol.13 (1), p.22418-22418, Article 22418

2023

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Binding of rosmarinic acid curcumin and capsaicin with PLA2: A comparative study

Biochemical and biophysical research communications, 2022-10, Vol.626, p.187-191

2022

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Novel tacrine derivatives exhibiting improved acetylcholinesterase inhibition: Design, synthesis and biological evaluation

European journal of medicinal chemistry, 2017-10, Vol.139, p.367-377

2017

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Trichoderma viride Laccase Plays a Crucial Role in Defense Mechanism against Antagonistic Organisms

Frontiers in microbiology, 2016-05, Vol.7, p.741-741

2016

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Cellular calcium signaling in the aging brain

Journal of chemical neuroanatomy, 2019-01, Vol.95, p.95-114

2019

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A long acting biodegradable controlled delivery of chitosan microspheres loaded with tetanus toxoide as model antigen

Biomedicine & pharmacotherapy, 2014-03, Vol.68 (2), p.225-230

2014

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Bisphenol-A carbonate dimer is a more preferred substrate for laccase mediated degradation than the Biphenol-A in its monomeric and dimeric forms

International biodeterioration & biodegradation, 2018-11, Vol.135, p.19-23

2018

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Bisphenol-A can bind to human glucocorticoid receptor as an agonist: an in silico study

Journal of applied toxicology, 2010-11, Vol.30 (8), p.769-774

2010

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Trypsin is inhibited by phytocompounds liquiritin and terpinen-4-ol from the herb Glycyrrhiza glabra: in vitro and in silico studies

Journal of biomolecular structure & dynamics, 2024-04, Vol.42 (6), p.2957-2964

2024

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Pyridine derivatives as anticancer lead compounds with Fatty Acid Synthase as the target: An in silico‐guided in vitro study

Journal of cellular biochemistry, 2019-10, Vol.120 (10), p.16643-16657

2019

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Treatment of Rabbit Elastase-Induced Aneurysm Models by Flow Diverters: Development of Quantifiable Indexes of Device Performance Using Digital Subtraction Angiography

IEEE transactions on medical imaging, 2009-07, Vol.28 (7), p.1117-1125

2009

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Repurposing simeprevir, calpain inhibitor IV and a cathepsin F inhibitor against SARS-CoV-2 and insights into their interactions with M pro

Journal of biomolecular structure & dynamics, 2022-01, Vol.40 (1), p.325-336

2022

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Virtual screening-based identification of novel fatty acid synthase inhibitor and evaluation of its antiproliferative activity in breast cancer cells

Journal of molecular graphics & modelling, 2021-06, Vol.105, p.107903, Article 107903

2021

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Computational and experimental validation of morin as adenosine deaminase inhibitor

Journal of receptors and signal transduction, 2018-05, Vol.38 (3), p.240-245

2018

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Neuroprotective derivatives of tacrine that target NMDA receptor and acetyl cholinesterase – Design, synthesis and biological evaluation

Computational and structural biotechnology journal, 2021-01, Vol.19, p.4517-4537

2021

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Functionalised dihydroazo pyrimidine derivatives from Morita–Baylis–Hillman acetates: synthesis and studies against acetylcholinesterase as its inhibitors

RSC advances, 2016-01, Vol.6 (81), p.77431-77439

2016

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Carbohydrate Binding and Unfolding of Spatholobus parviflorus Lectin: Fluorescence and Circular Dichroism Spectroscopic Study

Applied biochemistry and biotechnology, 2013-09, Vol.171 (1), p.80-92

2013

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Biochemical and computational insights of adenosine deaminase inhibition by Epigallocatechin gallate

Computational biology and chemistry, 2019-12, Vol.83, p.107111-107111, Article 107111

2019

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Repurposing of Streptomyces antibiotics as adenosine deaminase inhibitors by pharmacophore modeling, docking, molecular dynamics, and in vitro studies

Journal of receptors and signal transduction, 2020-01, Vol.40 (1), p.77-88

2020

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Chemical similarity assisted search for acetylcholinesterase inhibitors: Molecular modeling and evaluation of their neuroprotective properties

International journal of biological macromolecules, 2021-03, Vol.174, p.466-476

2021

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Regarding "Aneurysm rupture following treatment with flow-diverting stents: computational hemodynamics analysis of treatment"

American journal of neuroradiology : AJNR, 2011-05, Vol.32 (5), p.E95-E97

2011

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Potential of the salt-tolerant laccase-producing strain Trichoderma viride Pers. NFCCI-2745 from an estuary in the bioremediation of phenol-polluted environments

Journal of basic microbiology, 2014-06, Vol.54 (6), p.542-547

2014

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Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target

Repurposing simeprevir, calpain inhibitor IV and a cathepsin F inhibitor against SARS-CoV-2 and insights into their interactions with Mpro

Carboxylic acid derivatives suppress the growth of Aspergillus flavus through the inhibition of fungal alpha-amylase

Unveiling the molecular basis of lobeline's allosteric regulation of NMDAR: insights from molecular modeling

Binding of rosmarinic acid curcumin and capsaicin with PLA2: A comparative study

Novel tacrine derivatives exhibiting improved acetylcholinesterase inhibition: Design, synthesis and biological evaluation

Trichoderma viride Laccase Plays a Crucial Role in Defense Mechanism against Antagonistic Organisms

Cellular calcium signaling in the aging brain

A long acting biodegradable controlled delivery of chitosan microspheres loaded with tetanus toxoide as model antigen

Bisphenol-A carbonate dimer is a more preferred substrate for laccase mediated degradation than the Biphenol-A in its monomeric and dimeric forms

Bisphenol-A can bind to human glucocorticoid receptor as an agonist: an in silico study

Trypsin is inhibited by phytocompounds liquiritin and terpinen-4-ol from the herb Glycyrrhiza glabra: in vitro and in silico studies

Pyridine derivatives as anticancer lead compounds with Fatty Acid Synthase as the target: An in silico‐guided in vitro study

Treatment of Rabbit Elastase-Induced Aneurysm Models by Flow Diverters: Development of Quantifiable Indexes of Device Performance Using Digital Subtraction Angiography

Repurposing simeprevir, calpain inhibitor IV and a cathepsin F inhibitor against SARS-CoV-2 and insights into their interactions with M pro

Virtual screening-based identification of novel fatty acid synthase inhibitor and evaluation of its antiproliferative activity in breast cancer cells

Computational and experimental validation of morin as adenosine deaminase inhibitor

Neuroprotective derivatives of tacrine that target NMDA receptor and acetyl cholinesterase – Design, synthesis and biological evaluation

Functionalised dihydroazo pyrimidine derivatives from Morita–Baylis–Hillman acetates: synthesis and studies against acetylcholinesterase as its inhibitors

Carbohydrate Binding and Unfolding of Spatholobus parviflorus Lectin: Fluorescence and Circular Dichroism Spectroscopic Study

Biochemical and computational insights of adenosine deaminase inhibition by Epigallocatechin gallate

Repurposing of Streptomyces antibiotics as adenosine deaminase inhibitors by pharmacophore modeling, docking, molecular dynamics, and in vitro studies

Chemical similarity assisted search for acetylcholinesterase inhibitors: Molecular modeling and evaluation of their neuroprotective properties

Regarding "Aneurysm rupture following treatment with flow-diverting stents: computational hemodynamics analysis of treatment"

Potential of the salt-tolerant laccase-producing strain Trichoderma viride Pers. NFCCI-2745 from an estuary in the bioremediation of phenol-polluted environments

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