Identification of lanosterol 14 alpha demethylase inhibitors via CADD Triazoles as Lanosterol 14 alpha inhibitors through molecular docking
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- Englisch ausgewählt
Fr. 55.90
inkl. gesetzl. MwSt.,
Beschreibung
Produktdetails
Einband
Taschenbuch
Erscheinungsdatum
15.11.2019
Verlag
LAP LAMBERT Academic PublishingSeitenzahl
52
Maße (L/B/H)
22/15/0.4 cm
Gewicht
96 g
Sprache
Englisch
ISBN
978-620-2-07821-4
Modern approaches to finding new leads for therapeutic targets are increasingly based on three dimensional information about receptors. An effective way to predict binding structure of a substrate in its receptor is docking simulation which has been successfully used in many applications. Docking procedures basically aim to identify the correct conformation of ligands in the binding pocket of a protein and to predict the affinity between the ligand and the protein. In other words, it describes a process by which two molecules fit together in a 3-dimensinal space. Unlike other methods for docking ligands to the rigid 3D structure of a known protein receptor, Glide approximates a complete systematic search of the conformational, orientational, and positional space of the docked ligand. In this book, thirty five compounds bearing triazole scaffold have been retrieved form literature and their inhibitory effects on lanosterol 14 alpha demethylase have been performed via GLIDE module of Maestro. In-silico ADMET prediction analysis has also been carried out using QIKPROP module of Maestro.
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