objective(s): the structure- activity relationship of a series of 36 molecules, showing l-type calcium channel blocking was studied using a qsar (quantitative structure–activity relationship) method. materials and methods: structures were optimized by the semi-empirical am1 quantum-chemical method which was also used to find structure-calcium channel blocking activity trends. several types of d...

Research works proposed that radical scavenging activity of flavonoids is due to ring B, andthe remaining part of the molecule can be disregarded. Thus the objective of this work is toobserve whether hydroxytoluenes account the radical scavenging activity of flavonoid and toestablish structural requirements for their activity (as they showed appreciable activity) andelucidate a comprehensive me...

in the present study, quantitative relationships between molecular structure and anti-tubercular activity of some 5-methyl/trifluoromethoxy-1 h -indole-2,3-dione-3-thiosemicarbazone derivatives were discovered. the detailed application of an efficient linear method and principal component regression (pcr) for the evaluation of quantitative structure activity relationships of the studied compound...

the current study highlights the in vitro antioxidant and antitumor activity of the previously-synthesized hydrazone derivatives against various free radicals and human cancer cell lines, respectively. the anticancer efficacies of the compound were tested by measuring cytotoxicity in cancer cell lines hela, a549, and non-cancerous nl20 cells. compounds possessing electron-donor methoxy and meth...

research works proposed that radical scavenging activity of flavonoids is due to ring b, andthe remaining part of the molecule can be disregarded. thus the objective of this work is toobserve whether hydroxytoluenes account the radical scavenging activity of flavonoid and toestablish structural requirements for their activity (as they showed appreciable activity) andelucidate a comprehensive me...

although, coumarins are a group of compounds which are naturally found in some plants, they can be synthetically produced as well. because of their diverse derivatives, origin and properties most of them can be used for medicinal purposes. for example, they can be used against fungal diseases or in studying structure and biological properties of antifungal agents to discover new compounds with ...

Predictive quantitative structure–activity relationship was performed on the novel 4-oxo-1,4-dihydroquinoline and 4-oxo-4H-pyrido[1,2-a]pyrimidine derivatives to explore relationship between the structure of synthesized compounds and their anti-HIV-1 activities. In this way, the suitable set of the molecular descriptors was calculated and the important descriptors using the variable selections ...