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In Silico Drug Design and Molecular Docking Studies of Potent Inhibitors against Cathepsin-L (Ctsl) for Sars Disease

Madhu Sudhana Saddala, Pradeep Kiran Jangampalli Adi and Usha Rani A

Severe acute respiratory syndrome (SARS) is a severe respiratory infection caused by a recently recognized corona virus (SARS-CoV). Newly innovative machinery for way in of SARS CoV hooked on target cells was reported. The ingress of SARS-CoV necessities for proteases in establishment of viral infection. Cathepsin – L (CTSL) is the prime enzyme concerned in access of virus. Inhibition of CTSL represents a prospective drug mark for SARS disease. MDL28170 (CID10152654) was recognized as a proficient natural inhibitor of CTSL mediated substrate cleavage. Founded on the ligand structure likeness to get analogous effective medicine like molecules, the PubChem Database was screened for analogous strong remedy like compounds as MDL28170. Virtual Screening and docking studies were intended for these molecules against CTSL protein with PyRx Virtual Screening tool and AutoDock Vena. The docking outcome showed that the compounds CID11496897, CID11795833, CID333247, CID501956 and CID11199915 were having highest binding energies like -7.4, -7.3, -7.1, 6.7 and -6.4. The current study indicates that the lead molecules have to be evaluated additional for improved prospective drug molecules.