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Investigation of some acetamido-N-benzylacetamide derivatives as potent anti-convulsant inhibitors
PM3 semi-empirical method was used to develop the quantitative structure-activity relationship (QSAR) for predicting the anticonvulsant activity of some acetamido-N-benzylacetamide derivative. InExpand
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Molecular design and docking analysis of the inhibitory activities of some α_substituted acetamido-N-benzylacetamide as anticonvulsant agents
The concentrations of Gama aminobutyric acid (GABA) in the brain have been shown to be a major factor in the determinations of convulsions. Computational molecular docking study was carried out onExpand
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Quantitative structure activity relationship study of anticonvulsant activity of α_substituted acetamido-N-benzylacetamide derivatives
Abstract To develop the quantitative structure–activity relationship (QSAR) for predicting the anticonvulsant activity of α_substituted acetamido-N-benzylacetamide derivatives. Density FunctionalExpand
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Molecular docking and quantitative structure-activity relationship study of anticonvulsant activity of aminobenzothiazole derivatives
Abstract In silico studies which include Quantitative structure-activity relationship (QSAR) and molecular docking studies were carried out on the 37 amino-benzothiazole derivatives (anticonvulsantExpand
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Quantitative Structure-Activity Relationship Analysis of the Anti- tyrosine Activity of Some Tetraketone and Benzyl-benzoate Derivatives Based on Genetic Algorithm-Multiple Linear Regression
A QSAR study is performed on the seriestetraketone and benzyl benzoate derivatives in order to analyze the physicochemical requirements of tyrosinase inhibitors and to provide structural insight intoExpand
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Quantitative structure-properties relationship, molecular dynamic simulations and designs of some novel lubricant additives
Abstract Quantitative structure-properties relationship (QSPR) method was used to design some novel antioxidant lubricant additives, while molecular dynamics simulations were used to calculate theirExpand
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Molecular modelling and design of lubricant additives and their molecular dynamic simulations studies of Diamond-Like-Carbon (DLC) and steel surface coating
Abstract Quantitative Structure–Properties Relationship (QSPR) analysis was carried out on 30 lubricant additives while molecular dynamics simulations study was also performed to determine theExpand
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Molecular docking and QSAR analysis of a few Gama amino butyric acid aminotransferase inhibitors
Abstract Molecular docking and quantitative structure–activity relationship (QSAR) studies were carried out on 37 anticonvulsant compounds to develop a robust model for the prediction ofExpand
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Designing and Estimating Antioxidant Properties of Some Lubricant Additives via QSPR and MD Methodologies
Abstract Quantitative structural properties relationship (QSPR) was used as an investigational tool to design new lubricant antioxidant additives with better properties that could replace theExpand
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