Open Access(4-ARYLSULFAMOYL)PHENYLCARBAMIC ACID ESTERS II. SEARCH FOR A LEAD COMPOUND
Author(s) -
Victor I. Krutikov,
Andrey V. Erkin
Publication year - 2020
Publication title -
izvestiâ sankt-peterburgskogo gosudarstvennogo tehnologičeskogo instituta (tehničeskogo universiteta)
Language(s) - English
Resource type - Journals
ISSN - 1998-9849
DOI - 10.36807/1998-9849-2020-55-81-43-48
Subject(s) - lead compound , chemistry , active compound , alkyl , combinatorial chemistry , docking (animal) , drug , stereochemistry , thymidine , herpes simplex virus , biochemistry , organic chemistry , pharmacology , biology , virus , virology , dna , in vitro , medicine , nursing
Substituted phenylcarbamic acid alkyl esters were shown to be active against HSV-1 and HSV-2. Among them, 4-(2,6-dichlorophenylsulfamoyl)phenylcarbamic acid pentyl ester appeared to be the lead compound on the basis of Hansch and Free-Wilson QSAR methods. Optimization of the synthesis conditions of the above compound allowed obtaining a low toxic drug comparable to acyclovir in terms of antiherpes activity. The molecular docking study evidenced, that the potential target for the lead compound is thymidine kinase of herpes simplex viruses I and II.