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Development of Activity Rules and Chemical Fragment Design for In Silico Discovery of AChE and BACE1 Dual Inhibitors against Alzheimer’s Disease
ArticleAbstract: Multi-target drug development has become an attractive strategy in the discovery of drugs to treat oPalabras claves:AChE, Alzheimer’s disease, BACE1, dual-target inhibitor, fragment design, QSARAutores:Baecker D., Bao L.Q., Gerardo M. Casañola-Martin, Huong T.T.L., Mai Dung D.T., Nam N.H., Nguyen P.L., Pham-The H., Phuong Dung P.T., Phuong Nhung N., Rasulev B., Thi Thuan N.Fuentes:scopusThe Hydrolysis Rate of Paraoxonase-1 Q and R Isoenzymes: An In Silico Study Based on In Vitro Data
ArticleAbstract: Human serum paraoxonase-1 (PON1) is an important hydrolase-type enzyme found in numerous tissues. NoPalabras claves:Isoenzymes, Molecular docking, molecular dynamics, molecular modeling, PON1, QM/MM, QSAR, RPON1Autores:Gauld J.W., Gerardo M. Casañola-Martin, Karabulut S., Mansour B., Rasulev B.Fuentes:scopus