Bài đăng

Hiển thị các bài đăng có nhãn Drug-likenessfiltering;Molecular docking;QSAR modeling;Similarity searching;Tyrosinase inhibitor;Virtual screening
Hình ảnh
A Rational Workflow for Sequential Virtual Screening of Chemical Libraries on Searching for New Tyrosinase Inhibitors Authors:  Le, Thi Thu Huong The tyrosinase is a bifunctional, copper-containing enzyme widely distributed in the phylogenetic tree. This en-zyme is involved in the production of melanin and some other pigments in humans, animals and plants, including skin pigmentations in mammals, and browning process in plants and vegetables. Therefore, enzyme inhibitors has been under the attention of the scientist community, due to its broad applications in food, cosmetic, agricultural and medicinal fields, to avoid the undesirable effects of abnormal melanin overproduction. However, the research of novel chemical with anti-tyrosinase activity demands the use of more efficient tools to speed up the tyrosinase inhibitors discovery process. This chapter is focused in the different components of a predictive modeling workflow for the identification and prioritizat...