In-Silico analysis to identify the potent inhibitor of Rho GTPase activating protein for the usage of the Glaucoma

Abstract

Considered as the one of the leading irreversible loss of vision causing optic neuropathy, Glaucoma is estimated to hit more than 80 million by the end of 2020 via population survey. Increased intraocular pressure is taken as one of the risk factors among others behind the root of causing the disease. The imbalance in the secretion and the excretion of the aqueous humour inside and out of the ocular results in the IOP to deviate from the normal value of 22 mm of Hg. The Rho GAP pathway playing a crucial role in the modulation of the contractile and relaxation property of the actin smooth muscle, has shown in negatively regulating the protein kinase and subsequently increased IOP. In-vitro and Ex-vitro inhibition of the Rho GTPase protein through inhibitors have resulted in the relaxation of the actin and hence the IOP. The aim of the study is to use the in-silico technique such as, Autodock4, to explore the ligand interaction and its ability to inhibit the activity of RhoGTPase. The molecules AZA1 and Azaindole, with the least binding energies, have proven to be a potent inhibitor of the protein, hence as a lead towards the treatment of the glaucoma by decreasing the IOP to an extent.