Category Ranking

98%

Total Visits

921

Avg Visit Duration

2 minutes

Citations

20

Article Abstract

Neurodegenerative diseases (NDs) including Alzheimer's disease, Parkinson's disease, amyotrophic lateral sclerosis, and Huntington's disease are incurable and affect millions of people worldwide. The development of treatments for this unmet clinical need is a major global research challenge. Computer-aided drug design (CADD) methods minimize the huge number of ligands that could be screened in biological assays, reducing the cost, time, and effort required to develop new drugs. In this review, we provide an introduction to CADD and examine the progress in applying CADD and other molecular docking studies to NDs. We provide an updated overview of potential therapeutic targets for various NDs and discuss some of the advantages and disadvantages of these tools.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8124449PMC
http://dx.doi.org/10.3390/ijms22094688DOI Listing

Publication Analysis

Top Keywords

computer-aided drug
8
drug design
8
neurodegenerative diseases
8
advances applying
4
applying computer-aided
4
design neurodegenerative
4
diseases neurodegenerative
4
diseases nds
4
nds including
4
including alzheimer's
4

Similar Publications

Introduction: The drug "alkaloids of Sophora flavescens" (ASF) is an extract from the dried root of S. flavescens Ai. It has various pharmacological effects including anti-arrhythmia, anti-inflammatory, anti-allergic, anti-hepatitis, and antimicrobial.

View Article and Find Full Text PDF

Venetoclax-induced degradation of VP8* lectin domain disrupts group A rotavirus replication.

Int J Biol Macromol

September 2025

Key Laboratory of Animal Vaccine Development, Ministry of Agriculture and Rural Affairs, College of Veterinary Medicine, South China Agricultural University, Guangzhou, 510642, China. Electronic address:

Group A Rotavirus (RVA) poses a significant health risk. Unfortunately, there are currently no the Food and Drug Administration (FDA) approved antiviral compounds available for treating RVA-induced diarrhea. The lectin-like domain of VP8* plays an important role in the RVA lifecycle.

View Article and Find Full Text PDF

Sorting nexin 3 promotes ischemic retinopathy through RIP1- and RIP3-mediated myeloid cell necroptosis and mitochondrial fission.

Proc Natl Acad Sci U S A

September 2025

State Key Laboratory of Bioactive Molecules and Druggability Assessment, Guangdong Province Key Laboratory of Pharmacodynamic Constituents of Traditional Chinese Medicine and New Drugs Research, International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug De

Proliferative retinopathy is a leading cause of irreversible blindness in humans; however, the molecular mechanisms behind the immune cell-mediated retinal angiogenesis remain poorly elucidated. Here, using single-cell RNA sequencing in an oxygen-induced retinopathy (OIR) model, we identified an enrichment of sorting nexin (SNX)-related pathways, with SNX3, a member of the SNX family that is involved in endosomal sorting and trafficking, being significantly upregulated in the myeloid cell subpopulations of OIR retinas. Immunostaining showed that SNX3 expression is markedly increased in the retinal microglia/macrophages of mice with OIR, which is mainly located within and around the neovascular tufts.

View Article and Find Full Text PDF

Unlabelled: Generative artificial intelligence (AI) models, such as diffusion models and OpenAI's ChatGPT, are transforming medicine by enhancing diagnostic accuracy and automating clinical workflows. The field has advanced rapidly, evolving from text-only large language models for tasks such as clinical documentation and decision support to multimodal AI systems capable of integrating diverse data modalities, including imaging, text, and structured data, within a single model. The diverse landscape of these technologies, along with rising interest, highlights the need for a comprehensive review of their applications and potential.

View Article and Find Full Text PDF

Leishmaniasis, a disease caused by Leishmania parasites, poses a significant health threat globally, particularly in Latin America and Brazil. Leishmania amazonensis is an important species because it is associated with both cutaneous leishmaniasis and an atypical visceral form. Current treatments are hindered by toxicity, resistance, and high cost, driving the need for new therapeutic targets and drugs.

View Article and Find Full Text PDF