Evaluating Antimycobacterial Screening Schemes Using Chemical Global Positioning System-Natural Product Analysis.

ABSTRACT: Most of the targeted discoveries in tuberculosis research have covered previously explored chemical structures but neglected physiochemical properties. Until now, no efficient prediction tools have been developed to discriminate the novelty of screened compounds at early stages. To overcome this deficit, a drastic novel approach must include physicochemical properties filters provided by Chemical Global Positioning System-Natural Product analysis (ChemGPS-NP). Three different screening schemes GSK, GVKBio, and NIAID provided 776, 2880, and 3779 compounds respectively and were evaluated based on their physicochemical properties and thereby proposed as deduction examples. Charting the physiochemical property spaces of these sets identified the merits and demerits of each screening scheme by

SUBMITTER: Alajlani MM 

PROVIDER: S-EPMC7071165 | biostudies-literature | 2020 Feb

REPOSITORIES: biostudies-literature