QSAR and CoMFA studies of biphenyl analogs of the anti-tuberculosis drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo [2,1-b][1,3]oxazine (PA-824)
Medicinal Chemistry Research, ISSN: 1054-2523, Vol: 21, Issue: 9, Page: 2624-2629
2012
- 20Citations
- 17Captures
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Article Description
With the purpose of designing new chemical entities with enhanced inhibitory potencies against Mycobacterium tuberculosis, the 3D-QSARCoMFAstudy carried out on biphenyl analogs of the tuberculosis drug, (6S)-2-nitro-6-{[4- trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5Himidazo[ 2,1-b][1,3]oxazine (PA-824), is presented here. The developed model showed a good correlative and predictive ability. The final QSAR models as well as the information gathered from 3D contour maps should be useful for the design of novel PA-824 analogs having improved anti-TB activity. © Springer Science+Business Media, LLC 2011.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84866382405&origin=inward; http://dx.doi.org/10.1007/s00044-011-9787-x; http://link.springer.com/10.1007/s00044-011-9787-x; http://link.springer.com/content/pdf/10.1007/s00044-011-9787-x; http://link.springer.com/content/pdf/10.1007/s00044-011-9787-x.pdf; http://link.springer.com/article/10.1007/s00044-011-9787-x/fulltext.html; https://dx.doi.org/10.1007/s00044-011-9787-x; https://link.springer.com/article/10.1007/s00044-011-9787-x; http://www.springerlink.com/index/10.1007/s00044-011-9787-x; http://www.springerlink.com/index/pdf/10.1007/s00044-011-9787-x
Springer Science and Business Media LLC
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