Abstract

The free fatty acid receptor 1 (FFAR1) is a class A G-protein coupled receptor and a validated target to develop antidiabetic drugs. The present work describes the quantitative structure–activity relationship (QSAR) study of a series of 4-alkynyldihydrocinnamic acid analogs to rationalize their FFAR1 agonist activity. The various physicochemical and structural descriptors were derived from Molecular Operating Environment (MOE, 2011). The variable selection and model development were carried out using Combinatorial Protocol in Multiple Linear Regressions (CP-MLR) approach. The identified QSAR models highlighted the significance of solvent accessible surface area and associated hydrophobicity to the biological activity. The chemical features to improve hydrophobicity of 4-alkynyldihydrocinnamic acid analogs have been discussed.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.