Synthesis, Biological Evaluation and Molecular Docking Studies of 6-Aryl-2-Styrylquinazolin-4(3H)-Ones

Molecules

Emmanuel Ndubuisi Agbo¹  Tshepiso Jan Makhafola²  Yee Siew Choong³  Malose Jack Mphahlele¹  Ponnadurai Ramasami⁴ 

[1] Department of Chemistry, College of Science, Engineering and Technology, University of South Africa, P. O. Box 392, Pretoria 0003, South Africa;Department of Life and Consumer Sciences, College of Agriculture and Environmental Sciences, University of South Africa, Private Bag X06, Florida 1710, South Africa;Institute for Research in Molecular Medicine (INFORMM), Universiti Sains Malaysia, 11800 Minden, Penang, Malaysia;Computational Chemistry Group, Department of Chemistry, Faculty of Science, University of Mauritius, Réduit 80837, Mauritius;

关键词: 6-bromo-2-styrylquinazolin-4(3H)-ones;    Suzuki-Miyaura cross-coupling;    6-aryl-2-styrylquinazolin-4(3H)-ones;    in vitro cytotoxicity;    antimicrobial activity;    docking studies;   

DOI  :  10.3390/molecules21010028

来源: mdpi

【 摘 要 】

Suzuki-Miyaura cross-coupling of 6-bromo-2-styrylquinazolin-4(3H)-ones with arylboronic acids afforded a series of novel 6-aryl-2-styrylquinazolin-4(3H)-ones. These compounds were evaluated for potential anticancer properties against the human renal (TK-10), melanoma (UACC-62) and breast cancer (MCF-7) cell lines. Their antimicrobial properties were also evaluated against six Gram-positive and four Gram-negative bacteria, as well as two strains of fungi. Molecular docking studies (in silico) were conducted on compounds 5a, b, d and 6a, b, d–f to recognize the hypothetical binding motif of the title compounds within the active site of the dihydrofolate reductase and thymidylate synthase enzymes.

【 授权许可】

CC BY   
© 2015 by the authors; licensee MDPI, Basel, Switzerland.