Abstract
Skin cancer is caused by HSP90 receptor protein molecule. It is treated with commercial drugs, like cabazitaxel and dyclonine. The aim of the present study was to predict screen and identify the potential high efficient anti-skin cancer compounds from the marine flora of cyanobacteria. To screen the bioactive compounds against skin cancer causing protein, HSP90, Glide module (Schrodinger suite) was applied. Among the 31 bioactive compounds screened, best Glide docking score of –9.144 was found in tasiamide-B. When this tasiamide-B was compared with the commercially available drugs, like cabazitaxel and dyclonine through molecular docking, tasiamide-B was found to be more effective by interacted strongly with skin cancer causing target protein, HSP90. The results of the study support the fact that in silico molecular docking studies using Glide and Hex programs are very useful in predicting skin cancer treating drug. In this study, tasiamide-B was predicted as the best active cyanobacterial compound derived from Symploca sp.
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