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Myricitrin, a Glycosyloxyflavone in Myrica esculenta Bark Ameliorates Diabetic Nephropathy via Improving Glycemic Status, Reducing Oxidative Stress, and Suppressing Inflammation

Molecules (Basel, Switzerland), 2021-01, Vol.26 (2), p.258

2021

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A Multi-layered Variable Selection Strategy for QSAR Modeling of Butyrylcholinesterase Inhibitors

Current topics in medicinal chemistry, 2020-01, Vol.20 (18), p.1601

2020

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Protocatechuic Acid, a Phenolic from Sansevieria roxburghiana Leaves, Suppresses Diabetic Cardiomyopathy via Stimulating Glucose Metabolism, Ameliorating Oxidative Stress, and Inhibiting Inflammation

Frontiers in pharmacology, 2017-05, Vol.8, p.251-251

2017

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Carnosic Acid Attenuates Cadmium Induced Nephrotoxicity by Inhibiting Oxidative Stress, Promoting Nrf2/HO-1 Signalling and Impairing TGF-β1/Smad/Collagen IV Signalling

Molecules (Basel, Switzerland), 2019-11, Vol.24 (22), p.4176

2019

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Dabrafenib, idelalisib and nintedanib act as significant allosteric modulator for dengue NS3 protease

PloS one, 2021-09, Vol.16 (9), p.e0257206

2021

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A Comparative Study on Selective PPAR Modulators through Quantitative Structure-activity Relationship, Pharmacophore and Docking Analyses

Current computer-aided drug design, 2018-03, Vol.14 (1), p.54

2018

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The role of 3D pharmacophore mapping based virtual screening for identification of novel anticancer agents: an overview

Current topics in medicinal chemistry, 2013-05, Vol.13 (9), p.1098

2013

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Predictive Modeling of Antioxidant Coumarin Derivatives Using Multiple Approaches: Descriptor-Based QSAR, 3D-Pharmacophore Mapping, and HQSAR

Scientia pharmaceutica, 2013, Vol.81 (1), p.57-80

2013

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Exploring quantitative structure-activity relationship studies of antioxidant phenolic compounds obtained from traditional Chinese medicinal plants

Molecular simulation, 2010-11, Vol.36 (13), p.1067-1079

2010

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Structure-guided screening of protein-protein interaction for the identification of Myc-Max heterodimer complex modulators

Journal of biomolecular structure & dynamics, 2023-12, p.1-19

2023

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Search for potentially biased epidermal growth factor receptor (EGFR) inhibitors through pharmacophore modelling, molecular docking, and molecular dynamics (MD) simulation approaches

Journal of biomolecular structure & dynamics, 2023-03, Vol.41 (5), p.1681-1689

2023

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Exploring CIP2A modulators using multiple molecular modeling approaches

Journal of biomolecular structure & dynamics, 2022-02, Vol.40 (3), p.1048-1063

2022

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Quantitative Analysis of Essential Molecular Features of Coumarin Derivatives with Antioxidant Activity Using Chemometric Tools

Current computer-aided drug design, 2016-09, Vol.12 (3), p.241

2016

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Insight into the screening of potential beta-lactamase inhibitors as anti-bacterial chemical agents through pharmacoinformatics study

Journal of biomolecular structure & dynamics, 2021-02, Vol.39 (3), p.923-942

2021

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Fundamental pharmacological expressions on ocular exposure to capsaicin, the principal constituent in pepper sprays

Scientific reports, 2018-08, Vol.8 (1), p.12153-17, Article 12153

2018

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Exploring molecular structural requirement for AChE inhibition through multi-chemometric and dynamics simulation analyses

Journal of biomolecular structure & dynamics, 2018-04, Vol.36 (5), p.1274-1285

2018

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Genetic algorithm-de novo, molecular dynamics and MMGBSA based modelling of a novel Benz-pyrazole based anticancer ligand to functionally revert mutant P53 into wild type P53

Molecular simulation, 2023-05, Vol.49 (7), p.678-689

2023

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Engineered Andrographolide Nanoparticles Mitigate Paracetamol Hepatotoxicity in Mice

Pharmaceutical research, 2013-05, Vol.30 (5), p.1252-1262

2013

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Exploring Structural and Physicochemical Profiles of Potential GSK-3β Inhibitors Using Structure- and Ligand-Based Modeling Studies

Combinatorial chemistry & high throughput screening, 2016-01, Vol.19 (4), p.298

2016

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Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by in-silico simulation study

Journal of biomolecular structure & dynamics, 2023-07, Vol.ahead-of-print (ahead-of-print), p.1-21

2023

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Stepwise development of structure-activity relationship of diverse PARP-1 inhibitors through comparative and validated in silico modeling techniques and molecular dynamics simulation

Journal of biomolecular structure & dynamics, 2015-08, Vol.33 (8), p.1756-1779

2015

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Evaluation of reversible contraceptive potential of Cordia dichotoma leaves extract

Revista brasileira de farmacognosia, 2013-03, Vol.23 (2), p.342-350

2013

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Carnosic Acid, a Natural Diterpene, Attenuates Arsenic-Induced Hepatotoxicity via Reducing Oxidative Stress, MAPK Activation, and Apoptotic Cell Death Pathway

Oxidative medicine and cellular longevity, 2018-01, Vol.2018, p.1421438-24

2018

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Stepwise development of structure–activity relationship of diverse PARP-1 inhibitors through comparative and validated in silic o modeling techniques and molecular dynamics simulation

Journal of biomolecular structure & dynamics, 2015-08, Vol.33 (8), p.1756-1779

2015

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In silico modeling for prediction of drug-induced adverse reactions and environmental hazards using QSAR tools

Current drug safety, 2012-01, Vol.7 (4), p.255

2012

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Myricitrin, a Glycosyloxyflavone in Myrica esculenta Bark Ameliorates Diabetic Nephropathy via Improving Glycemic Status, Reducing Oxidative Stress, and Suppressing Inflammation

A Multi-layered Variable Selection Strategy for QSAR Modeling of Butyrylcholinesterase Inhibitors

Protocatechuic Acid, a Phenolic from Sansevieria roxburghiana Leaves, Suppresses Diabetic Cardiomyopathy via Stimulating Glucose Metabolism, Ameliorating Oxidative Stress, and Inhibiting Inflammation

Carnosic Acid Attenuates Cadmium Induced Nephrotoxicity by Inhibiting Oxidative Stress, Promoting Nrf2/HO-1 Signalling and Impairing TGF-β1/Smad/Collagen IV Signalling

Dabrafenib, idelalisib and nintedanib act as significant allosteric modulator for dengue NS3 protease

A Comparative Study on Selective PPAR Modulators through Quantitative Structure-activity Relationship, Pharmacophore and Docking Analyses

The role of 3D pharmacophore mapping based virtual screening for identification of novel anticancer agents: an overview

Predictive Modeling of Antioxidant Coumarin Derivatives Using Multiple Approaches: Descriptor-Based QSAR, 3D-Pharmacophore Mapping, and HQSAR

Exploring quantitative structure-activity relationship studies of antioxidant phenolic compounds obtained from traditional Chinese medicinal plants

Structure-guided screening of protein-protein interaction for the identification of Myc-Max heterodimer complex modulators

Search for potentially biased epidermal growth factor receptor (EGFR) inhibitors through pharmacophore modelling, molecular docking, and molecular dynamics (MD) simulation approaches

Exploring CIP2A modulators using multiple molecular modeling approaches

Quantitative Analysis of Essential Molecular Features of Coumarin Derivatives with Antioxidant Activity Using Chemometric Tools

Insight into the screening of potential beta-lactamase inhibitors as anti-bacterial chemical agents through pharmacoinformatics study

Fundamental pharmacological expressions on ocular exposure to capsaicin, the principal constituent in pepper sprays

Exploring molecular structural requirement for AChE inhibition through multi-chemometric and dynamics simulation analyses

Genetic algorithm-de novo, molecular dynamics and MMGBSA based modelling of a novel Benz-pyrazole based anticancer ligand to functionally revert mutant P53 into wild type P53

Engineered Andrographolide Nanoparticles Mitigate Paracetamol Hepatotoxicity in Mice

Exploring Structural and Physicochemical Profiles of Potential GSK-3β Inhibitors Using Structure- and Ligand-Based Modeling Studies

Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by in-silico simulation study

Stepwise development of structure-activity relationship of diverse PARP-1 inhibitors through comparative and validated in silico modeling techniques and molecular dynamics simulation

Evaluation of reversible contraceptive potential of Cordia dichotoma leaves extract

Carnosic Acid, a Natural Diterpene, Attenuates Arsenic-Induced Hepatotoxicity via Reducing Oxidative Stress, MAPK Activation, and Apoptotic Cell Death Pathway

Stepwise development of structure–activity relationship of diverse PARP-1 inhibitors through comparative and validated in silic o modeling techniques and molecular dynamics simulation

In silico modeling for prediction of drug-induced adverse reactions and environmental hazards using QSAR tools

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