BAGIM is an active community of Boston area scientists bringing together people from diverse fields of modeling and informatics to impact life and health sciences. BAGIM strives to create a forum for great scientific discussions covering a wide range of topics including data management, visualization, computational chemistry, drug discovery, protein structure, molecular modeling, structure-based drug design, data mining, software tools, and the sharing of goals and experiences. Our community is made up of participants from academia, government, and industry whose goal is to engage in the discussion of science involving a synthesis of theory and technology. Discussions sponsored by BAGIM are targeted to the needs and interests of informatics scientists, computational chemists, medicinal chemists, and statisticians. BAGIM also provides opportunities for networking within these disciplines as well as an arena for the dissemination of information of specific interest to the membership.

Wednesday, November 4, 2020

Future Directions in Medicinal Chemistry

 September 29: Noon GMT-5 (Eastern Standard Time)

In collaboration with Novartis, BAGIM is pleased to announce a our first multi-continent panel on current issues in the pursuit of medicinal chemistry.

Medicinal chemistry is a challenging research area crossing multiple scientific boundaries. Finding and optimizing chemical entities toward a drug candidate is a process in which complex and multi-factorial problems are addressed. Not only do potent compounds need to be synthetically feasible, but they also need to fulfill an acceptable balance between efficacy, and safety, while being unique enough to be marketable.

Today’s medicinal chemist needs to be akin to a renaissance man, knowledgeable in different fields, able to work effectively with other scientists on drug discovery campaigns, able to hunt for needles in haystacks and communicate disparate with strong communication skills to allow efficient internal and external collaborations.

Much effort, both technical and financial has been made to support the early drug discovery workflows. High throughput experimental techniques, lab automation, and computational prediction tools hold big promises and are still actively developed in drug research programs. The continued development of which still suggests there is still much room for improvement.

In this panel discussion, we discuss:

(1) the main challenges medicinal chemists still face in their research as of today,

(2) among those challenges, which ones would deserve more attention to improve the efficiency of drug discovery research programs.

(3) Overall, what would a happy medicinal chemist look like within the next 10 years?

Keynote Speaker: Derek Lowe (20 minutes)

Panelists (20 minutes each)

* Anthony Donofrio (Merck)

* Peter Pschmidtke (Discngine/Novartis Collaboration)

* Conner Colley (MIT Chemical Engineering)

Followed by a moderated Q/A session.

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