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3D-QSAR on a Series of Pyrimidinyl-Piperazine-Carboxamides Based Fatty Acid Amide Hydrolase (FAAH) Inhibitors as a Useful Tool to Obtain Novel Endocannabinoid Enhancers
Version 1
: Received: 7 November 2018 / Approved: 8 November 2018 / Online: 8 November 2018 (14:52:23 CET)
How to cite:
Lorca, M.; Valdes, Y.; Chung, H.; Pessoa-Mahana, C.D.; Mella, J. 3D-QSAR on a Series of Pyrimidinyl-Piperazine-Carboxamides Based Fatty Acid Amide Hydrolase (FAAH) Inhibitors as a Useful Tool to Obtain Novel Endocannabinoid Enhancers. Preprints2018, 2018110221. https://doi.org/10.20944/preprints201811.0221.v1
Lorca, M.; Valdes, Y.; Chung, H.; Pessoa-Mahana, C.D.; Mella, J. 3D-QSAR on a Series of Pyrimidinyl-Piperazine-Carboxamides Based Fatty Acid Amide Hydrolase (FAAH) Inhibitors as a Useful Tool to Obtain Novel Endocannabinoid Enhancers. Preprints 2018, 2018110221. https://doi.org/10.20944/preprints201811.0221.v1
Lorca, M.; Valdes, Y.; Chung, H.; Pessoa-Mahana, C.D.; Mella, J. 3D-QSAR on a Series of Pyrimidinyl-Piperazine-Carboxamides Based Fatty Acid Amide Hydrolase (FAAH) Inhibitors as a Useful Tool to Obtain Novel Endocannabinoid Enhancers. Preprints2018, 2018110221. https://doi.org/10.20944/preprints201811.0221.v1
APA Style
Lorca, M., Valdes, Y., Chung, H., Pessoa-Mahana, C.D., & Mella, J. (2018). 3D-QSAR on a Series of Pyrimidinyl-Piperazine-Carboxamides Based Fatty Acid Amide Hydrolase (FAAH) Inhibitors as a Useful Tool to Obtain Novel Endocannabinoid Enhancers. Preprints. https://doi.org/10.20944/preprints201811.0221.v1
Chicago/Turabian Style
Lorca, M., C. David Pessoa-Mahana and Jaime Mella. 2018 "3D-QSAR on a Series of Pyrimidinyl-Piperazine-Carboxamides Based Fatty Acid Amide Hydrolase (FAAH) Inhibitors as a Useful Tool to Obtain Novel Endocannabinoid Enhancers" Preprints. https://doi.org/10.20944/preprints201811.0221.v1
Abstract
Fatty Acid Amide Hydrolase (FAAH) is one of the enzymes responsible of endocannabinoids metabolism. The inhibition of FAAH is a useful and indirect strategy to raise endogenous cannabinoid concentrations, which would be useful for the treatment of various pathological processes in which cannabinoid concentrations are lowered. In the present work, we present an extensive 3D-QSAR/CoMSIA study on a series of 90 irreversible inhibitors of FAAH of pyrimidinyl-piperazine-carboxamide structure. The final model obtained was extensively validated (q2 = 0.734; r2test = 0.966; r2m = 0.723), and based on the information derived from the contour maps we reported a series of 10 new compounds designed as powerful FAAH inhibitors (pIC50 of the best-proposed compounds = 12.196; 12.416).
Chemistry and Materials Science, Medicinal Chemistry
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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