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Molecules 2017, 22(11), 1820; doi:10.3390/molecules22111820

Synthesis and 2D-QSAR Study of Active Benzofuran-Based Vasodilators

1
Pharmaceutical Chemistry Department, Drug Exploration & Development Chair (DEDC), College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia
2
Therapeutical Chemistry Department, National Research Centre, Dokki, Giza 12622, Egypt
3
Pharmacology Department, National Research Centre, Dokki, Giza 12622, Egypt
These authors contributed equally to this work.
*
Author to whom correspondence should be addressed.
Received: 18 September 2017 / Accepted: 22 October 2017 / Published: 26 October 2017
(This article belongs to the Section Bioorganic Chemistry)
View Full-Text   |   Download PDF [893 KB, uploaded 26 October 2017]   |  

Abstract

A new series of 2-alkyloxy-pyridine-3-carbonitrile-benzofuran hybrids (4ax) 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
Keywords: benzofuran; vasodilation activity; 2D-QSAR; amiodarone hydrochloride benzofuran; vasodilation activity; 2D-QSAR; amiodarone hydrochloride
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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. (CC BY 4.0).

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MDPI and ACS Style

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.

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