QSAR Modeling and Molecular Docking Analysis of Some Active Compounds against Mycobacterium tuberculosis Receptor (Mtb CYP121)
A quantitative structure-activity relationship (QSAR) study was performed to develop a model that relates the structures of 50 compounds to their activities against M. tuberculosis. The compounds were optimized by employing density functional theory (DFT) with B3LYP/6-31G⁎. The Genetic Function Algo...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2018-01-01
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| Series: | Journal of Pathogens |
| Online Access: | http://dx.doi.org/10.1155/2018/1018694 |