شماره ركورد كنفرانس :
4865
عنوان مقاله :
Anticancer Activity Evaluation of Some 1-hydroxynaphthalene-2-carboxanilide Derivatives Using the Computational Methods
پديدآورندگان :
S. Delaramia H hsd102012@gmail.com University of Zabol, Zabol, Iran , Sanchoulia E esmael.sanchooli@gmail.com University of Zabol, Zabol, Iran , Mirjahanshahib S chemist82_2003@yahoo.com University of Sistan and Baluchestan, Zahedan, Iran
كليدواژه :
1 , hydroxynaphthalene , 2 , carboxanilides , Molecular docking , DNA , Intercalation , Density functional theory.
عنوان كنفرانس :
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
چكيده فارسي :
DNA is often major target for the anticancer and antibiotic drugs, therefore consideration of the drug–DNA interaction has an important role in pharmacology. In this study, anticancer properties of some 1-hydroxynaphthalene-2-carboxanilide derivatives were analyzed through its possible interaction with DNA target using molecular docking and quantum mechanical calculations. The docking and quantum mechanics calculations show that the NO2 derivative has the most affinity to the DNA target, which is in agreement with the previous experimental results. Intercalation of these compounds between the DNA base pairs along with the hydrogen bonds could be responsible for their mechanism of action.
