Design synthesis and biological evaluation of 2-methylphenyl semicarbazone derivatives
نویسندگان
چکیده
We have used pharmacophore hybridization technique of drug design and designed a pharmacophore model 2-methylphenylsemicarbazone which is having hydrogen acceptor site, hydrogen donor site, lipophilic site etc using ligandscout-2.02 software. A series of 2-methylphenyl-semicarbazone was synthesized and evaluated for their antipyretic activity using boiled cow milk induced pyrexia in rabbits. Compound 11 was the most active compound. The possible metabolites of some selected synthesized chalconesemicarbazones were predicted by computational method using Pallas version-3.1 ADME-Tox prediction software. The major pathway of metabolism was found to be phydroxylation and amide hydrolysis. Article Info Received: 4 June 2011 Accepted: 6 June 2011 Available Online: 11 June 2011
منابع مشابه
Synthesis and Biological Evaluation of Thiosemicarbazide Derivatives Endowed with High Activity toward Mycobacterium Bovis
Thiosemicarbazides are potent intermediates for the synthesis of pharmaceutical and bioactive materials and thus, they are used extensively in the field of medicinal chemistry. The imine bond (-N=CH-) in these compounds are useful in organic synthesis, in particular for the preparation of heterocycles and non-natural β-aminoacids.In this paper the synthesis of some new thiosemicarbazide derivat...
متن کاملSynthesis and Biological Evaluation of Thiosemicarbazide Derivatives Endowed with High Activity toward Mycobacterium Bovis
Thiosemicarbazides are potent intermediates for the synthesis of pharmaceutical and bioactive materials and thus, they are used extensively in the field of medicinal chemistry. The imine bond (-N=CH-) in these compounds are useful in organic synthesis, in particular for the preparation of heterocycles and non-natural β-aminoacids.In this paper the synthesis of some new thiosemicarbazide derivat...
متن کامل4D-QSAR analysis and pharmacophore modeling: propoxy methylphenyl oxasiazole derivatives by electron conformatitional-genetic algorithm method
In this 4D-QSAR study, we obtained pharmacophore identification and biological activity prediction for 50 propoxy methylphenyl oxadiazole derivatives by the Electron Conformational Genetic Algorithm approach. In light of the results given in the data obtained from quantum chemical calculations at HF/3-21 G level, the electron conformational matrices of congruity (ECMC) were built by EMRE softwa...
متن کاملNovel Group of Imidazole Derivatives as Atypical Selective Cyclooxygenase-2 Inhibitors: Design, Synthesis and Biological Evaluation
In this study, a new series of 5-substituted 1-benzyl-2-(methylsulfonyl)-1-H-imidazolewith atypical structure-activity relationship was designed, synthesized, and biologicalevaluated as selective cyclooxygenase-2 inhibitors. Docking studies revealed that althoughthe pharmacophoric substitute of the compound 5b, methylsulfonyl group, has been directlyattached to the central ring, it is in the sa...
متن کاملSynthesis and Biological Evaluation of 2-Phenyl Benzothiazole Derivatives as Cytotoxic Agents
Cancer is a leading cause of death worldwide. Many heterocyclic cores are present in the structures of clinically approved anticancer drugs. Meanwhile, benzothiazoles have been reported as one of the most important heterocyclic scaffolds in previously reported anticancer agents in the literature. Therefore, in this report, a novel series of 2-phenyl benzothiazole derivatives was synthesized, bi...
متن کامل