Characterisation and In silico study of Skin emollient activity in Ocimum tenuiflorum, Azadirachta indica and Aloe vera extracts

Emollients have been part of human life for centuries. It softens and smoothes the skin. They improve the skin barrier function by decreasing the Transepidermal water loss. Leaves of Ocimum tenuiflorum and Azadirachta indica as well as peel of Aloe vera have been principle ingredients in emollient creams. They were subjected to qualitative tests and quantitative total phenolic content assay. It was found that the ethanolic extracts of the sample had high phenolic content and it had a good correlation with DPPH free radical scavenging assay. GC-MS analysis of the ethanolic extracts of the samples gave several compounds and of which Thymol, Methylparaben, Vitamin E, 1-acetyl pyrrolidine and n-Hexadecanoic acid were selected for the study. It was docked against Human Retinoic Acid Receptor (RXR)-Gamma. In silico docking studies showed that n-Hexadecanoic acid as an active compound with high emollient activity with a fitness score of 33.05. This paves way for treating Eczema and photodamaged skin at molecular level.