Articles Accepted

Modern Drug Discovery and Docking Study of Novel N-substituted 2,5-Bis[(7-chloroquinolin-4-yl)amino]pentanoic Derivatives as Selective High-binder with Angiotensin Converting Enzyme 2
by Dr. Mohammed Oday Ezzat, 01 Apr 2020

The prevalence of a novel coronavirus (2019-nCoV) in the last few months represents a serious threat as a world health emergency concern. Angiotensin-converting enzyme 2 (ACE2) is the hosted cellular receptor for the respiratory syndrome of coronavirus epidemic in 2019 (2019-nCoV). In this work, the active site of ACE2 is successfully located by Sitmap predication tool and validate by different marketed drugs. To design and discover new medical countermeasure drug, we evaluate a total of 184 molecules of 7-chloro-N-methylquinolin-4-amine derivatives for binding affinity inside crystal structure of ACE2 located active site. A novel series of N-substituted 2,5-Bis[(7-chloroquinolin-4-yl)amino]pentanoic acid derivatives is generated and evaluated for a prospect as lead compound for (2019-nCoV) medication with docking score range of (-10.60 to -8.99) kcal/mol for the highest twenty derivatives. Moreover, the ADME pharmaceutical properties were evaluated by for further proposal experimentally evaluation in vitro or in vivo.

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