article Open Access
Modulator compound for captive induced breeding in Monopterus cuchia through molecular modeling and Dynamics
Journal of Pharmacognosy and Phytochemistry · 2019 · Vol. 8 · pp. 424–426
Abstract
The Insilco experiment was conducted to find out small drug or ligand which can able to bind Gonadotropin releasing hormone receptor of Monopterus cuchia. GnRH receptor are G protein coupled receptor for this purpose ligand selected on basis of GPCR ligand, Ion channel modulator, Kinase inhibitor, Nuclear receptor ligand, Protease inhibitor, Enzyme inhibitor activity. Compound selected based on ADMET property. In this present Study modified protocol followed which help us to find compound which is less toxic or nontoxic to fish as our target organism is fish.
Computational Drug Discovery MethodsAquaculture Nutrition and GrowthReproductive biology and impacts on aquatic speciesLigand (biochemistry)ReceptorG protein-coupled receptorProtease inhibitor (pharmacology)BiologyGonadotropin-releasing hormone receptorPharmacologyProteaseChemistryBiochemistry
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References
The I-TASSER Suite: protein structure and function prediction
Nature Methods · 2014 · 5,868 citations
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Scientific Reports · 2017 · 16,166 citations
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