scientific challenge

summer 2017 challenge launched
submit your proposal until May 24th

news of the week

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

Cancer and Diabetes

Epigenetics Drug Discovery of natural product libraries to be anticancer/antidiabetic
Epigenetic modifications are primary action in case of obesity, diabetes and cancer due to their metabolic disorders, environmental exposure. Inhibitors to reverse DNA methylations are the new mechanisms of action to target diabetes, obesity and cancer. Various literature on inhibitors of LSD1, PAD4 would be collected and use of computational methods to discover new drugs is possible. Hence our study would be based on ligand-based (FlexS and FTrees) and structure-based (Flexx and Hyde) virtual screening on LSD1, PADI4 to discover inhibitors. e-molecules, Tim Tec and other commercial libraries would be screened to sort the new leads to be inhibitors. Top scoring molecules would be evaluated experimentally using LSD1 inhibitor screening kit, and PAD4 inhibitor screening kit. LSD1, PAD4 inhibitors are proven to be anti-cancer, anti-diabetic. Evaluated chemicals would be further studied for their mechanism of action in cell lines, and animal models of cancer and diabetes.
"We intend to achieve the following milestone(s):
  1. Build an activity model to screen libraries on PAD4 & LSD1
  2. Screen chemical libraries and dock molecules to PAD4 and LSD1
  3. Validate the best scoring compounds on PAD4 and lSD1 enzymes experimentally"
— Veera Chandra Sekhar Reddy Chittepu, Escuela Nacional de Ciencias Biol√≥gicas, Instituto Politecnico Nacional, Mexico

Veera Chandra Sekhar Reddy will be using SeeSAR, FlexX, ReCore, HYDE, FlexS, and FTrees.

current champion

The following project won the 'spring 2016' scientific challenge:

 
Reversible inhibitors against drug resistant Epidermal Growth Factor Receptor (EGFR) mutant
Dr. Subhash Mohan Agarwal and Dr Prajwal Nandekar .
Heidelberg Institute for Theoretical Studies (PN), Germany AND Institute of Cytology and Preventive Oncology (SMA), Noida, India

For more information please visit the hall of fame.

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 summer 2017 contest, please
    submit your proposal until May 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 June 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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