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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 Al...
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| Udgivet i: | J Pathog |
|---|---|
| Main Authors: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Hindawi
2018
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5971244/ https://ncbi.nlm.nih.gov/pubmed/29862081 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1155/2018/1018694 |
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