Synthesis and 2D-QSAR Study of Active Benzofuran-Based Vasodilators
AbstractA new series of 2-alkyloxy-pyridine-3-carbonitrile-benzofuran hybrids (4a–x) was synthesized. All the new derivatives were examined via the standard technique for their vasodilation activity. Some of the investigated compounds exhibited a remarkable activity, with compounds 4w, 4e, 4r, 4s, 4f and 4g believed to be the most active hits in this study with IC50 values 0.223, 0.253, 0.254, 0.268, 0.267 and 0.275 mM, respectively, compared with amiodarone hydrochloride, the reference standard used (IC50 = 0.300 mM). CODESSA PRO was employed to obtain a statistically significant 2-Dimensional Quantitative Structure Activity Relationship (2D-QSAR) model describing the bioactivity of the newly synthesized analogs (N = 24, n = 4, R2 = 0.816, R2cvOO = 0.731, R2cvMO = 0.772, F = 21.103, s2 = 6.191 × 10−8). View Full-Text
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Khalifa, N.M.; Srour, A.M.; Abd El-Karim, S.S.; Saleh, D.O.; Al-Omar, M.A. Synthesis and 2D-QSAR Study of Active Benzofuran-Based Vasodilators. Molecules 2017, 22, 1820.
Khalifa NM, Srour AM, Abd El-Karim SS, Saleh DO, Al-Omar MA. Synthesis and 2D-QSAR Study of Active Benzofuran-Based Vasodilators. Molecules. 2017; 22(11):1820.Chicago/Turabian Style
Khalifa, Nagy M.; Srour, Aladdin M.; Abd El-Karim, Somaia S.; Saleh, Dalia O.; Al-Omar, Mohamed A. 2017. "Synthesis and 2D-QSAR Study of Active Benzofuran-Based Vasodilators." Molecules 22, no. 11: 1820.
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