Synthesis,X-Ray Crystal Structures,Biological Evaluation,and Molecular Docking Studies of a Series of Barbiturate Derivatives

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Synthesis,X-Ray Crystal Structures,Biological Evaluation,and Molecular Docking Studies of a Series of Barbiturate Derivatives


نویسنده	barakat a. ,ghabbour h.a. ,al-majid a.m. ,qurat-ul-ain h.e.j. research institute of chemistry ,imad r. ,javaid k. ,shaikh n.n. ,yousuf s. ,iqbal choudhary m. ,wadood a.
منبع	journal of chemistry - 2016 - دوره : 2016 - شماره : 0
چکیده	A series of barbiturates derivatives synthesized and screened for different set of bioassays are described. the molecular structures of compounds 5a,5d,and 5f were solved by single-crystal x-ray diffraction techniques. the results of bioassay show that compounds 4a,4b,4c,4d,4e,4f,and 4g are potent antioxidants in comparison to the tested standards,butylated hydroxytoluene (bht),and n-acetylcysteine. compounds 4a-4e (ic50 = 101.8 ï¿½ 0.8 - 124.4 ï¿½ 4.4 μm) and 4g (ic50 = 104.1 ï¿½ 1.9 μm) were more potent antioxidants than the standard (bht,ic50 = 128.8 ï¿½ 2.1 μm). the enzyme inhibition potential of these compounds was also evaluated,in vitro,against thymidine phosphorylase,α-glucosidase,and β -glucuronidase enzymes. compounds 4c,4h,4 o,4p,4q,5f,and 5m were found to be potent α-glucosidase inhibitors and showed more activity than the standard drug acarbose,whereas compounds 4v,and 5h were found to be potent thymidine phosphorylase inhibitors,more active than the standard drug,7-deazaxanthine. all barbiturates derivatives (4a-4x,4z,and 5a-5m) were found to be noncytotoxic against human prostate (pc-3),henrietta lacks cervical (hela) and michigan cancer foundation-7 breast (mcf-7) cancer cell lines,and 3t3 normal fibroblast cell line,except 4y which was cytotoxic against all the cell lines. ï¿½ 2016 assem barakat et al.

آدرس	department of chemistry,college of science,king saud university,p.o. box 2455,riyadh,saudi arabia,department of chemistry,faculty of science,alexandria university,p.o. box 426,ibrahimia,alexandria, Egypt, department of pharmaceutical chemistry,college of pharmacy,king saud university,p.o. box 2457,riyadh,saudi arabia,department of medicinal chemistry,faculty of pharmacy,mansoura university,mansoura, Egypt, department of chemistry,college of science,king saud university,p.o. box 2455,riyadh, Saudi Arabia, international center for chemical and biological sciences,university of karachi,karachi, Pakistan, h.e.j. research institute of chemistry,international center for chemical and biological sciences,university of karachi,karachi, Pakistan, h.e.j. research institute of chemistry,international center for chemical and biological sciences,university of karachi,karachi, Pakistan, h.e.j. research institute of chemistry,international center for chemical and biological sciences,university of karachi,karachi, Pakistan, h.e.j. research institute of chemistry,international center for chemical and biological sciences,university of karachi,karachi, Pakistan, department of chemistry,college of science,king saud university,p.o. box 2455,riyadh,saudi arabia,h.e.j. research institute of chemistry,international center for chemical and biological sciences,university of karachi,karachi, Pakistan, department of biochemistry,abdul wali khan university,mardan, Pakistan



Authors	barakat ,ghabbour ,al-majid ,qurat-ul-ain ,imad ,javaid ,shaikh ,yousuf ,iqbal choudhary ,wadood