Mining Natural Products for Macrocycles to Drug Difficult Targets
Fabio Begnini, Vasanthanathan Poongavanam, Björn Over, Marie Castaldo, Stefan Geschwindner, Patrik Johansson, Mohit Tyagi, Christian Tyrchan, Lisa Wissler, Peter Sjö, Stefan Schießer, Jan Kihlberg
Abstract
-based lead generation and also inspire the design of future macrocycle screening collections.
Topics & Concepts
ChemistryIn silicoNatural productDrug discoveryDocking (animal)Combinatorial chemistryDrug designTarget proteinVirtual screeningLead compoundBinding siteComputational biologyNanotechnologyStereochemistryBiochemistryIn vitroBiologyGeneMedicineMaterials scienceNursingComputational Drug Discovery MethodsMicrobial Natural Products and BiosynthesisBioinformatics and Genomic Networks