Design and Synthesis of RHO Kinase Inhibitors

Abstract

Cancer is a disease involving cellular changes, such as abnormal cell growth, altered cell contact, and generation of cellular forces, which is due to the alteration of the cytoskeleton. A Rho-associated central coiled-coil kinase (ROCK) is a kinase associated with cancer progression and its level of expression is altered. ROCK1 and ROCK2 are the main two kinases of ROCK and are associated with cellular processes & regulation of the cytoskeleton. Multiple somatic gene mutations, as well as single nucleotide polymorphism (SNPs) of ROCK, are observed in different types of cancer. For the docking studies, protein (PDB ID: 3tku) which is having a resolution of 2.15 A° was considered. Molecules were docked using software such as AUTODOCK, AUTODOCK VINA, and PyRx. The molecule with a good docking score was followed by ADMET studies.