Abstract

Weiam A. Hussein^1,2*, Mohammed Khaled Bin Break¹, Ahmed Alafnan³, Bader Huwaimel¹, Weaam M. A. Khojali^1,4, Nasrin Khalifa^5,6, Farhan Alshammari⁵, Tahani S. Albalawi⁷, Ghaliah Alshammary⁷, Zhawah F. Alshammary⁷, Haya O. Almutairi⁷, Reem M. Alrasheedi⁷ and Shahad Fayad⁷

DOI : http://dx.doi.org/10.13005/ojc/390401

In medicinal chemistry, the link between structure and activity is essential. We are seeking to relate chemical structure and reactivity to medicinal properties, which has gained popularity recently. In this study, scaffolds from three antioxidants were changed to new derivatives to show that their biological effects as antioxidants would change. We also reviewed the anticancer effects of these medications (based on the SRB test) to find other biological effects that may be related to their chemical structural modifications. Moreover, SWISS ADME software was used to determine further ADME characteristics. Compound 2C had the highest cytotoxicity (1.2 μM) against lung cancer cell lines, whereas 1C had good cytotoxicity (87.66 μM). Compound 2C also demonstrated excellent cytotoxicity against the other three cell lines with IC50 values of 5.049, 6.26, and 9.71 μM, respectively. After its antioxidant structure was tweaked, 1C might be a critical molecule for building a novel treatment for lung cancer.

Antioxidants; Cytotoxicity; In-Silico ADME analysis; Lung cancer; Structure-activity relationship

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