Advancements in computational techniques have transformed glaucoma research, providing
a deeper understanding of genetics, disease mechanisms, and potential therapeutic targets …

Molecular dynamics simulation is a widely employed computational technique for studying
the dynamic behavior of molecular systems over time. By simulating macromolecular …

Foot-and-mouth disease (FMD) is a highly infectious animal disease caused by foot-and-
mouth disease virus (FMDV) and primarily infects cloven-hoofed animals such as cattle …

Breast Cancer, a heterogeneous disease at the molecular level, is the most common cause
of woman mortality worldwide. We used molecular screening and simulation approaches to …

Inflammation has a key role in driving memory/cognitive impairment in conditions ranging
from Alzheimer's disease, vascular dementia, Parkinson's disease, traumatic brain injury …

Throughout history, the world has faced various pathogens that have wreaked significant
havoc on human and animal health. Among those pathogens, viruses have generated the …

Introduction: This study bridges traditional remedies and modern pharmacology by exploring
the synergy between natural compounds and Ceritinib in treating Non-Small Cell Lung …

The investigation of hydroxyxanthone derivatives has been conducted, including molecular
docking, molecular dynamics simulation MM-PBSA binding energy calculation, and …

Background Bioactive compounds were isolated, characterized, but their efficacy, potency
and mechanism of action to treat/prevent several diseases yet to defined. The present …

This work aims to use cutting-edge machine learning methods to improve quantitative
structure-activity relationship (QSAR) analysis, which is used in drug development and …