Computational Modeling of Pharmaceuticals with an Emphasis on Crossing the Blood–Brain Barrier

Computational Modeling of Pharmaceuticals with an Emphasis on Crossing the Blood–Brain Barrier

The discovery and development of new pharmaceutical drugs is a costly, time-consuming, and highly manual process, with significant challenges in ensuring drug bioavailability at target sites. Computational techniques are highly employed in drug design, particularly to predict the pharmacokinetic pro...

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Bibliographic Details
Main Authors: Patrícia Alencar Alves, Luana Cristina Camargo, Gabriel Mendonça de Souza, Márcia Renata Mortari, Mauricio Homem-de-Mello
Format: Article
Language:English
Published: MDPI AG 2025-02-01
Series:Pharmaceuticals
Subjects:
blood–brain barrier
in silico drug design
quantitative structure–activity relationship
machine learning
molecular docking
molecular dynamics
Online Access:https://www.mdpi.com/1424-8247/18/2/217

Internet

https://www.mdpi.com/1424-8247/18/2/217

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