LigAdvisor: a versatile and user-friendly web-platform for drug design.

ABSTRACT: Although several tools facilitating in silico drug design are available, their results are usually difficult to integrate with publicly available information or require further processing to be fully exploited. The rational design of multi-target ligands (polypharmacology) and the repositioning of known drugs towards unmet therapeutic needs (drug repurposing) have raised increasing attention in drug discovery, although they usually require careful planning of tailored drug design strategies. Computational tools and data-driven approaches can help to reveal novel valuable opportunities in these contexts, as they enable to efficiently mine publicly available chemical, biological, clinical, and disease-related data. Based on these premises, we developed LigAdvisor, a data-driven webserver whi

SUBMITTER: Pinzi L 

PROVIDER: S-EPMC8262749 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature