Designing Novel and Potent Inhibitors for Multi Drug-Resistant Tuberculosis: A Computational Approach
Designing Novel and Potent Inhibitors for Multi Drug-Resistant Tuberculosis: A Computational Approach
Muhammad Idrees1, Bashir Ahmad2, Muhammad Waqas1, Syed Muhammad Mukarram Shah3 and Saad Ahmad Khan4
A, Crystal structure of 2CCA; B, superposed structures of 2CCA and mutated structures.
A, crystal structure of 5UHC; B, superposed structure of 5UHC with mutated 5UHC.
A, crystal structure of 3IFZ; B, 3IFZ crystal structure aligned and superposed with mutated 3IFZ.
Pharmacophoric features of isoniazid (A), pyrazinamide (B), rifadin (C) and ofloxacin (D).
Three-dimensional representation of the interactions of compound ZINC05257859 (A) and ZINC11891015 (B) with katG active pocket.
Three-dimensional representation of the interactions of compound ZINC20828864 (A) and ZINC05459404 (B) with pncA active pocket.
Three-dimensional representation of the interactions of compound ZINC39272743 (A) and ZINC93480289 (B) with rpoB active pocket.
Three-dimensional representation of the interactions of compound ZINC12433306 (A) and ZINCS6640502 (B) with gyrA active pocket.
A, Crystal structure of 3PL1; B, superposed structure of 3PL1 with mutated structures.
