This review introduces the concept of quantum toxicology,its research methods,the adverse effects of quantum on human body,importance of quantum toxicology,the future development prospects and its role in pharmacology...This review introduces the concept of quantum toxicology,its research methods,the adverse effects of quantum on human body,importance of quantum toxicology,the future development prospects and its role in pharmacology research. Quantum toxicology research is very important in pharmacology and toxicology,which should be paid attention.展开更多
By means of the X\|ray diffraction method, quantum pharmacology analysis and quantitative structure\|activity relationships (QSAR) analysis, the structure\|activity relationships of the herbicidal sulfonylureas and fu...By means of the X\|ray diffraction method, quantum pharmacology analysis and quantitative structure\|activity relationships (QSAR) analysis, the structure\|activity relationships of the herbicidal sulfonylureas and fused heterocyclic sulfonamides were systematically studied. The results showed that the structure\|activity relationships of these two kinds of herbicides were identical and that the heterocyclic ring and sulfonyl moiety in the molecules were their pharmacophores which likely bind in the same receptor sites of acetolactate synthase (ALS). According to these results, the initial model of these two kinds of herbicides binding with the receptor was put forward.展开更多
<正> In view of quantum pharmacology, the structure-activity relationships of different kinds of fused heterocydic sulfonamides with the same mode of action were first investigated using molecular mechanics, qua...<正> In view of quantum pharmacology, the structure-activity relationships of different kinds of fused heterocydic sulfonamides with the same mode of action were first investigated using molecular mechanics, quantum chemistry and discriminatory analysis. It has been found that the process of the interaction of the fused heterocydic sulfonamide with ALS enzyme involves the electropositive region of the sulfonyl bridge chain and the electronegative region of the heterocydic moiety. The herbicidal activity is related to the potency of electric charge translocation of the related regions.展开更多
文摘This review introduces the concept of quantum toxicology,its research methods,the adverse effects of quantum on human body,importance of quantum toxicology,the future development prospects and its role in pharmacology research. Quantum toxicology research is very important in pharmacology and toxicology,which should be paid attention.
文摘By means of the X\|ray diffraction method, quantum pharmacology analysis and quantitative structure\|activity relationships (QSAR) analysis, the structure\|activity relationships of the herbicidal sulfonylureas and fused heterocyclic sulfonamides were systematically studied. The results showed that the structure\|activity relationships of these two kinds of herbicides were identical and that the heterocyclic ring and sulfonyl moiety in the molecules were their pharmacophores which likely bind in the same receptor sites of acetolactate synthase (ALS). According to these results, the initial model of these two kinds of herbicides binding with the receptor was put forward.
基金Project supported by the National Natural Science Foundation of China
文摘<正> In view of quantum pharmacology, the structure-activity relationships of different kinds of fused heterocydic sulfonamides with the same mode of action were first investigated using molecular mechanics, quantum chemistry and discriminatory analysis. It has been found that the process of the interaction of the fused heterocydic sulfonamide with ALS enzyme involves the electropositive region of the sulfonyl bridge chain and the electronegative region of the heterocydic moiety. The herbicidal activity is related to the potency of electric charge translocation of the related regions.
