Conception de médicaments : accès ouvert
Libre accès

Abstrait

Ancrage moléculaire de dérivés tri-peptides synthétisés à l'aide de WEBINA 1.0.3

R. Govindarajan1, Vissarapu Naga Lakshmi2*

In-silico manner has completed a position of amazing significance in the drug discovery area. Molecular docking is a computational method widely used for unexpectedly predicting the binding modes and affinities of small molecules against their goal molecules (normally proteins). Molecular docking has been significantly facilitated by way of dramatic growth in computer power and the growing availability of small molecule and protein databases. Webina is a JavaScript/web assembly library that runs Autodock Vina, a popular software for molecular docking, completely in an internet browser. The docking calculations take area at the user's very own computer as opposed to a remote server. Webina web app includes a handy interface so users can without difficulty setup their docking runs and analyze the effects. A running model of the app may be accessed free of fee. A general 18 synthesized peptide derivatives have been completed for molecular docking studies with 4FGW protein through the use of webina net server. The A2, A3, B1, B2 and B3 had been displaying good activity.