Novel chromenes and benzochromenes bearing arylazo moiety: molecular docking, in-silico admet, in-vitro antimicrobial and anticancer screening
Journal Article
·
· Medicinal Chemistry Research (Print)
- Taibah University, Department of Chemistry, Faculty of Science (Saudi Arabia)
Novel derivatives of benzochromene 9a–e and chromene 10a–e were synthesized via multi components reaction that utilizes azo dyes, malononitrile, and arylaldehydes as starting materials. The structures of the newly synthesized compounds were elucidated by the IR, {sup 1}H-NMR, {sup 13}C-NMR and mass spectral data. The new synthesized compounds were explored for their in-silico ADMET properties. The docking investigations verified good docking outcomes in terms of score and binding affinities of the examined compounds on the desired proteins, namely the GlcN-6-P synthase and PI3Ks. The in-vitro studies, which encompassed the antibacterial activity against two types of Gm +ve and two of Gm –ve, and the antifungal activity against four fungi micro-organisms were evaluated by the well diffusion method for the synthesized compounds. Moreover, the anticancer activity was tested against three human carcinoma cell lines [human colon carcinoma (HCT-116), human breast adenocarcinoma (MCF-7), and liver carcinoma (HEPG-2)], exhibiting promising anticancer activity in comparison to Vinblastine, Colchicine and Doxorubicin as standard drugs. The data suggests that some of the new derivatives of chromene scaffold which emerged promising in the in-silico molecular docking studies displayed good in-vitro antimicrobial and anticancer activities and could be exploited as leads for further optimization.
- OSTI ID:
- 22936175
- Journal Information:
- Medicinal Chemistry Research (Print), Journal Name: Medicinal Chemistry Research (Print) Journal Issue: 9 Vol. 28; ISSN 1054-2523
- Country of Publication:
- United States
- Language:
- English
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