Virtual Screening of Cutibacterium acnes Antibacterial Agent Using Natural Compounds Database
(1) National Taiwan Universityhttps://doi.org/10.59720/21-064
Acne vulgaris is an immune response leading to the dermatological disease generally known as acne caused by Cutibacterium acnes. It is estimated to affect 9.4% of the global population, and nearly 8 in 10 teens have acne. Acne manifests itself through inflammation of hair follicles roots, skin redness, and formation of pimples. Treatments to remove acne scars are often money and time consuming. Therefore, prevention of acne is beneficial beyond pure cosmetics. Acne symptoms can be alleviated if growth of C. acnes is inhibited; however, more in-depth research is needed for cosmetic care products regarding acne control. We applied reverse pharmacology methods to identify natural small molecule extracts with high affinity to important growth factors in C. acnes, to be employed as anti-bacterial agents in cosmetic or skincare products. With absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction we showed that out of the 2234 natural extracts analyzed, 5 small molecules had low binding energy. These five molecules were further analyzed. Through structural analysis and with reference to prior research, we concluded that these small molecules have the potential to be supplemented in skincare products for acne control.
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