scientific challenge

fall 2017 challenge launched
submit your proposal until August 24th

news of the week

Here is one of the projects that made it into the summer 2017 challenge:

Cancer

Discovery of Succinate Dehydrogenase Inhibitors
Succinate dehydrogenase (SDH) is a protein located in the inner membrane of mitochondria. SDH is an emerging target for cancer, in which is possess several advantages; Inhibition of cancer cell metabolism impairs glutaminolysis, SDH inhibition leads to activation of autophagy and cell death and promisingly, low potency SDH inhibitors are selectively cytotoxic to cancer cells. To date only low potency inhibitors of SDH are known. A potent SDH inhibitor would be expected to elicit greater efficacy. The natural product atpenin A5 (AA5) is a potent and specific SDH inhibitor. However, AA5 was found to have limited effect in vivo, attributed to poor absorption, distribution, metabolism and excretion properties. We have synthesized a library of AA5 derivatives to understand the SAR and lower lipophilicity. We plan to conduct QSAR studies to gain further insight into protein-ligand interactions and design derivatives with lower ClogP, while achieving high predicted inhibition activity.
"We intend to achieve the following milestone(s):
  1. Complete QSAR analysis based on current SAR and prioritize highest scoring compounds with lower lipophilicity
  2. Synthesis of highest scoring compounds
  3. Bioassay (SDH inhibition activity) and cytotoxicity"
— Paul Trippier, Texas Tech University Health Sciences Center, United States of America

Paul will be using SeeSAR.

invitation

BioSolveIT is inviting academic teams, non-profit organizations and individuals to participate in an exciting Scientific Challenge: if you are working on a drug discovery problem, take advantage of BioSolveIT's wide array of software tools to meet your goals. How to participate? Just send us a proposal for the project you'd like to advance using BioSolveIT software. We will review every proposal very carefully and award the most attractive ones. A new contest starts every three months.

motivation

In a first phase, the most promising proposals will receive free BioSolveIT licenses for 3 months to con­duct the desired research. For phase II, the most interesting results are granted a free license extension by 9 months and we will sponsor the presentation of the overall best achievement with a travel grant of 1000€. For more details please read the terms of challenge.

procedure

  1. To enter the fall 2017 contest, please
    submit your proposal until August 24th 2017
  2. Based on scientific novelty, interest of target, and approach sought, we will select from all submissions the best, maximum 5 to enter the contest. Every participant will be informed of our decision by September 1st. These most promising projects will receive free fully functional licenses and support to all relevant BioSolveIT tools, valid for 3 months.
  3. After the initial 3 months the best, maximum 3 projects will receive another 9 months of free software access to BioSolveIT's entire software suite and premium support. And after 9 months, the overall best project will be rewarded with a travel grant of 1000€ to a high impact conference for a presentation of the results.

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