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CoMFA Analysis of tgDHFR and rlDHFR Based on Antifolates with 6-5 Fused Ring System Using the All-Orientation Search (AOS) Routine and a Modified Cross-Validated r(2)-Guided Region Selection (q(2)-GRS) Routine and Its Initial Application
We report the development of CoMFA analysis models that correlate the 3D chemical structures of 80 compounds with 6-5 fused ring system synthesized in our laboratory and their inhibitory potencies against tgDHFR and rlDHFR. In addition to conventional CoMFA analysis, we used two routines available i...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2845980/ https://ncbi.nlm.nih.gov/pubmed/20117005 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmc.2009.12.066 |
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