Skills (1)
Publications (7) View all
-
Article: In vivo antihyperlipidemic activity of a new series of N-(benzoylphenyl) and N-(acetylphenyl)-1-benzofuran-2-carboxamides in rats.
[show abstract] [hide abstract]
ABSTRACT: A new series of N-(benzoylphenyl) and N-(acetylphenyl)-1-benzofuran-2-carboxamides (3a-3d and 4a'-4c') were synthesized. Compounds (3a, 3b, and 4a'-4c') were tested in vivo using Triton-WR-1339-induced hyperlipidemic rats as an experimental model for their hypolipidemic activity. The tested animals were divided into eight groups: control, hyperlipidemic, 3a, 3b, 4a', 4b', 4c', and bezafibrate. At a dose of 15 mg/kg, the elevated plasma triglyceride (TG) levels were significantly reduced in compounds 3b (p <0.0001) and 4c' (p <0.05) after 12 and 24 h compared to the normal control group. Furthermore, high-density lipoprotein-cholesterol levels were remarkably increased in compounds 3b (p <0.001) and 4c' (p <0.05). Meanwhile, compound 4b' slightly reduced the TG levels after 12 and 24 h. The present study demonstrated new properties of the novel series of benzofuran-2-carboxamides 3b and 4c' as potent lipid-lowering agents. It is, therefore, reasonable to assume that compounds 3b and 4c' may have a promising potential in the treatment of hyperlipidemia and coronary heart diseases.Archiv der Pharmazie 01/2012; 345(5):401-6. · 1.71 Impact Factor -
Article: Design, synthesis, and biological evaluation of sulfonic acid ester and benzenesulfonamide derivatives as potential CETP inhibitors
[show abstract] [hide abstract]
ABSTRACT: Design, synthesis, and biological evaluation of sulfonic acid ester and benzenesulfonamide derivatives as potential CETP inhibitorsMedicinal Chemistry Research 11/2011; · 1.27 Impact Factor -
Article: Discovery of new antifungal leads via pharmacophore modeling and QSAR analysis of fungal N-myristoyl transferase inhibitors followed by in silico screening.
[show abstract] [hide abstract]
ABSTRACT: N-Myristoyl transferase is an essential enzyme for fungal growth and survival. The continuous interest in the development of new antifungal agents prompted recent interest in developing new potent inhibitors of fungal N-myristoyl transferase. In this context, we combined pharmacophore and QSAR modeling to explore the structural requirements for potent N-myristoyl transferase inhibitors employing 55 known N-myristoyl transferase ligands. Four binding pharmacophore models emerged in the optimal QSAR equations (R(2)(44) = 0.81-0.83, F-statistic = 47.89-58.83, r(2)(L00)= 0.77-0.80, against 11 external test inhibitors = 0.61-0.71). The successful pharmacophores were complemented with exclusion spheres to optimize their receiver operating characteristic curve profiles. The QSAR equations and their associated pharmacophore models were validated by the identification and experimental evaluation of new promising antifungal leads retrieved from the NCI database and our in-house-built database of established drugs and agrochemicals.Chemical Biology & Drug Design 06/2011; 78(3):391-407. · 2.28 Impact Factor -
Article: Discovery of new β-D-glucosidase inhibitors via pharmacophore modeling and QSAR analysis followed by in silico screening.
[show abstract] [hide abstract]
ABSTRACT: Glycosidases, including β-D-glucosidase, are involved in a variety of metabolic disorders such as diabetes, viral or bacterial infections and cancer. Accordingly, we were prompted to find new β-D-glucosidase inhibitors. Towards this end we scanned the pharmacophoric space of this enzyme using a set of 41 known inhibitors. Genetic algorithm and multiple linear regression analyses were employed to select an optimal combination of pharmacophoric models and physicochemical descriptors to yield self-consistent and predictive quantitative structure-activity relationship (QSAR). Three pharmacophores emerged in the QSAR equations, suggesting the existence of more than one binding mode accessible to ligands within the β-D-glucosidase pocket. The successful pharmacophores were complemented with strict shape constraints in an attempt to optimize their receiver-operating characteristic (ROC) curve profiles. The validity of the QSAR equations and the associated pharmacophoric models were established experimentally by the identification of several β-D-glucosidase inhibitors retrieved via in silico search of two structural databases, namely the National Cancer Institute (NCI) list of compounds, and our in-house structural database of established drugs and agrochemicals (DAC).Journal of Molecular Modeling 03/2011; 17(3):443-64. · 1.80 Impact Factor -
Article: Discovery of new β‐D‐galactosidase inhibitors via pharmacophore modeling and QSAR analysis followed by in silico screening
Journal of Computational Chemistry 08/2010; 32(3):463 - 482. · 4.58 Impact Factor
