Structure-based drug design of novel ASK1 inhibitors using an integrated lead optimization strategy
TS Gibson, B Johnson, A Fanjul, P Halkowycz… - Bioorganic & Medicinal …, 2017 - Elsevier
TS Gibson, B Johnson, A Fanjul, P Halkowycz, DR Dougan, D Cole, S Swann
Bioorganic & Medicinal Chemistry Letters, 2017•ElsevierAbstract Structure-based drug design is an iterative process that is an established means to
accelerate lead optimization, and is most powerful when integrated with information from
different sources. Herein is described the use of such methods in conjunction with
deconstruction and re-optimization of a diverse series of ASK1 chemotypes along with high-
throughput screening that lead to the identification of a novel series of efficient ASK1
inhibitors displaying robust MAP3K pathway inhibition.
accelerate lead optimization, and is most powerful when integrated with information from
different sources. Herein is described the use of such methods in conjunction with
deconstruction and re-optimization of a diverse series of ASK1 chemotypes along with high-
throughput screening that lead to the identification of a novel series of efficient ASK1
inhibitors displaying robust MAP3K pathway inhibition.
Abstract
Structure-based drug design is an iterative process that is an established means to accelerate lead optimization, and is most powerful when integrated with information from different sources. Herein is described the use of such methods in conjunction with deconstruction and re-optimization of a diverse series of ASK1 chemotypes along with high-throughput screening that lead to the identification of a novel series of efficient ASK1 inhibitors displaying robust MAP3K pathway inhibition.
Elsevier
