Alzheimer's disease and β-secretase inhibition: an update with a focus on computer-aided inhibitor design

SC Ugbaja, IA Lawal, HM Kumalo… - Current drug …, 2022 - ingentaconnect.com
Introduction: Alzheimer's disease (AD) is an intensifying neurodegenerative illness due to its
irreversible nature. Identification of β128; site Amyloid Precursor Protein (APP) cleaving en …

Raloxifene's in vitro anticancer effects against MCF-7 cells were facilitated by cholesterol-PEG functionalized mesoporous silica nanoparticles

AH Al-Nadaf, A Awadallah, S Bardaweel - Journal of Drug Delivery Science …, 2023 - Elsevier
This work offered a unique approach to delivering Raloxifene by coating Mesoporous
nanoparticles with polyethylene glycol in addition to cholesterol. The cytotoxic properties of …

Population density analysis for determining the protonation state of the catalytic dyad in BACE1-tertiary carbinamine-based inhibitor complex

C Gueto-Tettay, L Pelaez-Bedoya… - Journal of …, 2018 - Taylor & Francis
BACE1 is an aspartyl protease with a very relevant role in medicinal chemistry related to
Alzheimer Disease since it has demonstrated to be a promising therapeutic target for …

G-score: A function to solve the puzzle of modeling the protonation states of β-secretase binding pocket

C Gueto-Tettay, A Martinez-Consuegra… - Journal of Molecular …, 2018 - Elsevier
The population density concept has emerged as a proposal for the analysis of molecular
dynamics results, the key characteristic of population density is the evaluation of the …

[图书][B] An effective layered workflow of virtual screening for identification of active ligands of challenging protein targets

LF da Silva Constantino - 2017 - search.proquest.com
Docking is a computer simulation method used to predict the preferred orientation of two
interacting chemical species that has been successfully applied to numerous …