Bruno Villoutreix PhD in Structural Bioinformatics - Drug Design

Course and current status

From Sept 2012 to Sept 2015: Co-director doctoral school: Medicinal Chemistry, Toxicity, Environment (MTCE, presently MTCi)

Jan 2009-Dec 2018: Founder and director of Inserm-Univ Paris Diderot UMRS-973, Molécules Thérapeutiques in silico (~30 people, in silico Drug discovery, chemoinformatics, Bioinformatics and applications in several therapeutic areas)

2002-2008: head of the Inserm Avenir team (Bioinformatics, Chemoinformatics, Blood coagulation & Complement)

2005: Research Director Inserm, U648, Univ Paris Descartes (Chemistry, Head Prof C. Garbay)

2001: Research Director Inserm, U428, Univ Paris Descartes (Blood coagulation, Head Prof M. Aiach)

1998-2001: Associate Professor, Malmo University Hospital, Sweden (Head Prof B. Dahlback, Blood Coagulation).

1998-2001: Visiting Professor (1 month/year) University of Paris 5, School of Pharmacy.

1996-1997: Visiting scientist Structural Bioinformatics, Malmo University Hospital, Sweden (Blood coagulation & Complement).

1995-1996: Visiting scientist Structural Bioinformatics – Drug Design, VTT Biotechnology, Helsinki, Finland. Biologics, diagnostic kits, cancer

1992-1995: Research Assistant Structural Bioinformatics, Scripps Clinic & Research Institute, San Diego, USA (Blood coagulation, complement, cancer).

1992: Student training, Electrostatics (3 months) Central Laboratory of Biophysics, Sofia Bulgaria.

1991: Student training, Structural Bioinformatics, Uppsala, Sweden.

1988 and 1990: visiting scientist: enzyme fast kinetics (5 months). Penn State University, USA.

Scientific summary

some keywords:

Protein structure analysis, drug design, virtual screening, ADMET in silico prediction, analysis of point mutations identified in patients (biostructural pathology), data mining, machine learning, python, shell, unix, application of virtual screening and chemical biology mainly to blood coagulation and complement proteins and cancer targets, investigation of novel therapeutic targets, protein-protein interactions, transient protein-membrane interactions.

I focus on the modulation of challenging therapeutic targets (or mechanism like protein-protein interactions or transient protein-membrane interactions) with low molecular weight compounds and on gaining new insights about molecular mechanisms involved in the health and disease states, the main areas are cancer and blood coagulation while some projects are also on rare diseases and neglected diseases.

Over 200 articles, reviews, and meeting abstracts at ISI Web of Science (on June 2018), 12 book chapters and 7 patents.

I designed in silico a molecule that is will enter phase II, area oncology, the study is handled by a start up in Sweden

You can find my directory of weblinks dedicated to in silico methods that assist the early steps of drug discovery here (over 500,000 visitors from 2006 - 2018): http://www.vls3d.com

Online ADME-tox filtering tools: FAF-Drugs (between 15000 to 30000 connections each year worldwide)

Online virtual screening via the MTiOpenScreen tool (about 10000 connections each year) with recent updates involving 3 new collections of purchasable compounds ready for docking (drug compounds for repositioning, natural products and food-derived products)

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