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Identification of natural compound inhibitors for multidrug efflux pumps of Escherichia coli and Pseudomonas aeruginosa using in silico high-throughput virtual screening and in vitro validation

PloS one, 2014-07, Vol.9 (7), p.e101840-e101840

2014

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Novel Benzylidene Thiazolidinedione Derivatives as Partial PPARγ Agonists and their Antidiabetic Effects on Type 2 Diabetes

Scientific reports, 2017-10, Vol.7 (1), p.14453-17, Article 14453

2017

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In vitro and In silico Analysis of the Anti-diabetic and Anti-microbial Activity of Cichorium intybus Leaf extracts

Current computer-aided drug design, 2021-01, Vol.17 (2), p.173

2021

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Drug-Target Interactions: Prediction Methods and Applications

Current protein & peptide science, 2018-06, Vol.19 (6), p.537

2018

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Inhibitory effects of ascorbic acid toward snake venom metalloproteinase (SVMP) from Indian Echis carinatus venom: Insights from molecular modeling and binding studies

Journal of biochemical and molecular toxicology, 2018-12, Vol.32 (12), p.e22224-n/a

2018

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Purification, identification and in silico models of alkaloids from Nardostachys jatamansi — bioactive compounds for neurodegenerative diseases

Biomass conversion and biorefinery, 2023-11, Vol.13 (16), p.14889-14900

2023

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Natural Occurrence of Organofluorine and Other Constituents from Streptomyces sp. TC1

Journal of natural products (Washington, D.C.), 2014-01, Vol.77 (1), p.2-8

2014

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Synthesis and molecular modelling studies of novel sulphonamide derivatives as dengue virus 2 protease inhibitors

Bioorganic chemistry, 2015-10, Vol.62, p.74-82

2015

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Determination on the binding of thiadiazole derivative to human serum albumin: a spectroscopy and computational approach

Journal of biomolecular structure & dynamics, 2017-03, Vol.35 (4), p.817-828

2017

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Detection of adulterants from common edible oils by GC–MS

Biomass conversion and biorefinery, 2023-11, Vol.13 (17), p.15543-15563

2023

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Phytochemical profile of black cumin (Nigella sativa L.) seed oil: identification of bioactive anti-pathogenic compounds for traditional Siddha formulation

Biomass conversion and biorefinery, 2023-11, Vol.13 (16), p.14683-14695

2023

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Progressive Hemorrhage and Myotoxicity Induced by Echis carinatus Venom in Murine Model: Neutralization by Inhibitor Cocktail of N,N,N',N'-Tetrakis (2-Pyridylmethyl) Ethane-1,2-Diamine and Silymarin

PloS one, 2015-08, Vol.10 (8), p.e0135843

2015

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Phytochemical analyses and activity of herbal medicinal plants of North- East India for anti-diabetic, anti-cancer and anti-tuberculosis and their docking studies

Current topics in medicinal chemistry, 2015-01, Vol.15 (1), p.21

2015

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Liquid/Single Crystal Structure Analysis: Synthesis and Characterization of a Trimethylsilyl Derived Rod Shaped Mesogen

Acta chimica Slovenica, 2015-01, Vol.62 (4), p.768-774

2015

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Design and docking studies of peptide inhibitors as potential antiviral drugs for dengue virus ns2b/ns3 protease

Protein and peptide letters, 2014-01, Vol.21 (8), p.815

2014

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Dimethyl ester of bilirubin exhibits anti-inflammatory activity through inhibition of secretory phospholipase A2, lipoxygenase and cyclooxygenase

Archives of biochemistry and biophysics, 2016-05, Vol.598, p.28-39

2016

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Identification of type I and type II inhibitors of c-Yes kinase using in silico and experimental techniques

Journal of biomolecular structure & dynamics, 2018-05, Vol.36 (6), p.1566-1576

2018

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Computational analysis of drug like candidates against Neuraminidase of Human Influenza A virus subtypes

Informatics in medicine unlocked, 2020, Vol.18, p.100284, Article 100284

2020

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Current Update of Phytotherapeutic Agents in the Treatment of COVID-19: In-Silico Based Virtual Screening Approach for the Development of Antiviral Drug

Frontiers in bioscience (Landmark. Print), 2022-04, Vol.27 (4), p.123-123

2022

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Crystal structures and Hirshfeld surface analyses of 4,4'-{[1,3-phenyl-enebis(methyl-ene)]bis-(-oxy)}bis-(3-meth-oxy-benzaldehyde) and 4,4'-{[(1,4-phenyl-ene-bis(methyl-ene)]bis-(-oxy)}bis-(3-meth-oxy-benzalde-hyde)

Acta crystallographica. Section E, Crystallographic communications, 2019-06, Vol.75 (Pt 6), p.875-879

2019

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Crystal structures of two substituted thiazolidine derivatives

Acta crystallographica. Section E, Crystallographic communications, 2016-08, Vol.72 (8), p.1126-1129

2016

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Virtual screening and discovery of novel aurora kinase inhibitors

Current topics in medicinal chemistry, 2014-01, Vol.14 (17), p.2006

2014

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Insights into the Binding of 3-(1-Phenylsulfonyl-2-methylindol-3-ylcarbonyl) Propanoic Acid to Bovine Serum Albumin: Spectroscopy and Molecular Modelling Studies

Nano biomedicine and engineering, 2015-03, Vol.7 (1), p.1-7

2015

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An amide cyclophane

Acta crystallographica. Section E, Structure reports online, 2014-08, Vol.70 (8), p.o865-o865

2014

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Molecular insights into substrate binding mechanism of undecaprenyl pyrophosphate with membrane integrated phosphatidyl glycerophosphate phosphatase B (PgpB) using molecular dynamics simulation approach

Journal of biomolecular structure & dynamics, 2019-03, Vol.37 (4), p.1062-1089

2019

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Identification of natural compound inhibitors for multidrug efflux pumps of Escherichia coli and Pseudomonas aeruginosa using in silico high-throughput virtual screening and in vitro validation

Novel Benzylidene Thiazolidinedione Derivatives as Partial PPARγ Agonists and their Antidiabetic Effects on Type 2 Diabetes

In vitro and In silico Analysis of the Anti-diabetic and Anti-microbial Activity of Cichorium intybus Leaf extracts

Drug-Target Interactions: Prediction Methods and Applications

Inhibitory effects of ascorbic acid toward snake venom metalloproteinase (SVMP) from Indian Echis carinatus venom: Insights from molecular modeling and binding studies

Purification, identification and in silico models of alkaloids from Nardostachys jatamansi — bioactive compounds for neurodegenerative diseases

Natural Occurrence of Organofluorine and Other Constituents from Streptomyces sp. TC1

Synthesis and molecular modelling studies of novel sulphonamide derivatives as dengue virus 2 protease inhibitors

Determination on the binding of thiadiazole derivative to human serum albumin: a spectroscopy and computational approach

Detection of adulterants from common edible oils by GC–MS

Phytochemical profile of black cumin (Nigella sativa L.) seed oil: identification of bioactive anti-pathogenic compounds for traditional Siddha formulation

Progressive Hemorrhage and Myotoxicity Induced by Echis carinatus Venom in Murine Model: Neutralization by Inhibitor Cocktail of N,N,N',N'-Tetrakis (2-Pyridylmethyl) Ethane-1,2-Diamine and Silymarin

Phytochemical analyses and activity of herbal medicinal plants of North- East India for anti-diabetic, anti-cancer and anti-tuberculosis and their docking studies

Liquid/Single Crystal Structure Analysis: Synthesis and Characterization of a Trimethylsilyl Derived Rod Shaped Mesogen

Design and docking studies of peptide inhibitors as potential antiviral drugs for dengue virus ns2b/ns3 protease

Dimethyl ester of bilirubin exhibits anti-inflammatory activity through inhibition of secretory phospholipase A2, lipoxygenase and cyclooxygenase

Identification of type I and type II inhibitors of c-Yes kinase using in silico and experimental techniques

Computational analysis of drug like candidates against Neuraminidase of Human Influenza A virus subtypes

Current Update of Phytotherapeutic Agents in the Treatment of COVID-19: In-Silico Based Virtual Screening Approach for the Development of Antiviral Drug

Crystal structures and Hirshfeld surface analyses of 4,4'-{[1,3-phenyl-enebis(methyl-ene)]bis-(-oxy)}bis-(3-meth-oxy-benzaldehyde) and 4,4'-{[(1,4-phenyl-ene-bis(methyl-ene)]bis-(-oxy)}bis-(3-meth-oxy-benzalde-hyde)

Crystal structures of two substituted thiazolidine derivatives

Virtual screening and discovery of novel aurora kinase inhibitors

Insights into the Binding of 3-(1-Phenylsulfonyl-2-methylindol-3-ylcarbonyl) Propanoic Acid to Bovine Serum Albumin: Spectroscopy and Molecular Modelling Studies

An amide cyclophane

Molecular insights into substrate binding mechanism of undecaprenyl pyrophosphate with membrane integrated phosphatidyl glycerophosphate phosphatase B (PgpB) using molecular dynamics simulation approach

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