Sigillo di Ateneo

LigAdvisor

A web server for drug design based on big data


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September 15th, 2020.

WE ARE PROUD TO ANNOUNCE OUR FIRST WEBSERVER ENABLING LIGAND DESIGN AND OPTIMIZATION, DRUG REPURPOSING AND POLYPHARMACOLOGY TASKS TO RESEARCHERS IN THE FIELD OF DRUG DISCOVERY.

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The server can be accessed at the followinglink.

LigAdvisor is a versatile and user-friendly platform to help researchers in de novo drug design and discovery. The web platform is based on the combined application of a number of ligand-based similarity approaches performed on a very large set of chemical, biological and structural open data. In particular, the core of LigAdvisor consists of a large database (big data), including 2D similarity estimations between molecules extracted from the DrugBank and Protein Data Bank (PDB) databases, accounting for more than 1 billion comparisons. Moreover, LigAdvisor integrates information reported on UniProt and ClinicalTrials.gov into a unique and curated platform to facilitate the design and profiling of effective candidates. The user can draw chemical structures and submit query jobs in search of biological targets (target fishing), repurposed drugs, polypharmacological ligands, and much more.

STAY TUNED: novel features and updates on the database will be available soon in the web platform.

LigAdvisor is a web server developed by theMolecular Modelling and Drug Design Labwith the collaboration of theDB Group.LigAdvisor development was supported by the Fondo di Ateneo per la Ricerca interdisciplinare (FAR 2019, PI Prof. Giulio Rastelli) grant from the University of Modena and Reggio Emilia.