Date: 2015/3/10, 14:00〜16:00

Venue: SA322, Science and Agricultural Building

Speaker: Mr. Mikku Nagata (Director Enterprise Sales, Certara G.K.)

Title: "Identification and Optimization of Synthesizable Lead Candidates"

Language: English

Abstract:

Identification And Optimization Of Synthesizable LeadCandidates by using Muse^® lnvent^TM. It is a molecular design workflow designed to accelerate the identification and optimization of lead candidates. It enables researchers to create drug candidates with novel structures, scaffolds or side-chains that are not only synthesizable, but it also describes the necessary synthesis pathway. Core functionality:

• Generate drug design ideas that include synthetic chemistry considerations alongside other design criteria
• Explore Lead- and Scaffold-Hopping
• Invent New R-Groups around a fixed scaffold
• Elaborate fragments in the context of a protein binding site for fragment based drug design
• Easily integrate in-house or 3rd party scoring methods for use as design criteria

Links:

• Poster (PDF File)