Evaluate Interaction of the Sunscreen cream Ingredients with the protein Interleukin 8 (IL8) to understand Skin irritant potency: An In-Silico study

Ritushree Biswas, Sarra Akermi, Sunil Jayant, Anshul Nigam


The increase in the case of sunburn, erythema and skin cancer has drawn the attention of the scientific world to the use and quality regulation of sunscreen.  Sunscreen is an over-the-counter medication as regulated by FDA. Prior to the use of sunscreen, it is recommended to assess its safety and efficacy. To reduce time and cost scientific world is trying to use ‘in-silico’ testing methods for the safety assessment of the sunscreen ingredients. This article deals with the basis of sunscreen use, effects of UV exposure on the skin, sunscreen ingredients, classification of sunscreen, skin sensitisation methods for testing ingredients, why ‘in-silico’ method is needed. Our docking study found that compounds like Octinoxate and Avobenzone strongly bind to the protein 1IL8 with high docking sore and known to be strong skin irritant and skin sensitizers. Compounds like TiO2 and ZnO2 show low affinity for 1IL8 and are also not known to be potential skin irritant and non-skin sensitizers. Therefore, our in-silico study concludes that interaction between compounds and 1IL8 is particularly important for determining Skin irritation potency of the compound.

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Biswass 2021


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