A Comparison of the Data of Bioinformatics and Experimental In Vitro Antitubercular Activity of the New β-Aminopropioamidoximes Library Uzakova Assem B.1,2,*, Kayukova Lyudmila A.2, Poroikov Bladimir B.3, Praliev Kaldybai D.2 1JSC Kazakh-British Technical University, 59 Tole bi Str., 050000, Almaty, Kazakhstan 2JSC A.B. Bekturov Institute of Chemical Sciences», 106 Ualikhanov Str., 050010, Almaty, Kazakhstan 3Institute of Biomedical Chemistry RAMS, 10 Pogodinskaya Str., 121119, Moscow, Russia *Corresponding Author E-mail: a7_uzakova@mail.ru
Online published on 20 December, 2018. Abstract Six-membered heterocyclic systems are widely used in organic synthesis as biologically active substances. Properties and reactions of these compounds are stated in numerous reviews. Despite current multidrug therapy and ongoing drug development, tuberculosis continues to be a major health concern today. Based on the urgency of searching for more effective methods for treating tuberculosis, there is growing interest in the development of multifunctional drugs that affect mycobacteria M. tuberculosis. O-Aroyl-β-(piperidin-1-yl) propioamidoximes and 5-substituted phenyl-3-[β-(piperidin-1-yl)ethyl]-1, 2, 4-oxadiazoles were synthesized. Their anti-tuberculosis activity was studied. The analysis of their potential biological activity by methods of chemoinformatics was carried out. The use of several free and commercial tools (ChemSpider and CSLS) to synthesized new Obenzoyl-β-piperidinopropioamidoxime and 5-substituted phenyl-3-[β-(piperidin-1-yl)ethyl]-1, 2, 4-oxadiazoles showed novelty of synthesized derivatives. These substances showed good in vitro antitubercular activity [3]. On this basis, data on their biological activity can also be considered as newly obtained. Top Keywords β-aminipropionamidoximes, 1, 2, 4-oxadiazoles, in silico prognosis, in vitro screening, antitubercular activity. Top |