Quantum modelling and molecular docking evaluation of some selected quinoline derivatives as anti-tubercular agents
Shola Elijah Adeniji, Gideon Adamu Shallangwa, David Ebuka Arthur, Mustapha Abdullahi, Abdelaziz Mahmoud, Abdurrashid Haruna
Heliyon · 2020-03
Abstract
test could be carried out to validate the computational results.
MeSH terms
- Docking (animal)
- Quantitative structure–activity relationship
- Mycobacterium tuberculosis
- Virtual screening
- Combinatorial chemistry
- Tuberculosis
- Drug
- Quinoline
- Computational biology
- Isoniazid
- Pharmacology
- Chemistry
- Drug discovery
- Computer science
- Stereochemistry