Novel web-based tools combining chemistry informatics, biology and social networks for drug discovery

• Published in: Drug discovery today Vol. 14; no. 5; pp. 261 - 270
• Main Authors: Hohman, Moses, Gregory, Kellan, Chibale, Kelly, Smith, Peter J., Ekins, Sean, Bunin, Barry
• Format: Journal Article
• Language: English
• Published: Kidlington Elsevier Ltd 01.03.2009; Elsevier
• Subjects: Antimalarials - pharmacology; Biological and medical sciences; Cooperative Behavior; Databases, Factual; Drug Discovery; General pharmacology; Humans; Information Services; Intellectual Property; Internet; Medical sciences; Pharmaceutical technology. Pharmaceutical industry; Pharmacology. Drug treatments; Social Support; Software; Systems Biology - methods; Drug; Pharmaceutical technology; Research and development; Public health
• ISSN: 1359-6446; 1878-5832
• DOI: 10.1016/j.drudis.2008.11.015

A convergence of different commercial and publicly accessible chemical informatics, databases and social networking tools is positioned to change the way that research collaborations are initiated, maintained and expanded, particularly in the realm of neglected diseases. A community-based platform that combines traditional drug discovery informatics with Web2.0 features in secure groups is believed to be the key to facilitating richer, instantaneous collaborations involving sensitive drug discovery data and intellectual property. Heterogeneous chemical and biological data from low-throughput or high-throughput experiments are archived, mined and then selectively shared either just securely between specifically designated colleagues or openly on the Internet in standardized formats. We will illustrate several case studies for anti-malarial research enabled by this platform, which we suggest could be easily expanded more broadly for pharmaceutical research in general.