A Computational Framework for Design and Development of Novel Prostate Cancer Therapies

Abstract

Abstract : There is a lack of effective therapies for late-stage metastatic and castration resistant prostate cancer. We have used multiple computational methods like molecular docking and dynamics to rapidly design and develop inhibitors targeting non-receptor tyrosine kinases, especially Etk. Etk is responsible for inducing strong survival signals in cancer cells, and thus inhibitors of this kinase may serve as effective anti-cancer therapies. In last year, we have made significant progress, and have identified many, diverse and novel inhibitors of Etk. We have also analyzed the sequences and structures of this kinase superfamily, and identified potential new target sites for drug development. Our preliminary experimental studies further support our computational observations. Overall, we have developed a computational framework for rapid drug design and development of novel anti-cancer therapies.