Molecular dynamics (MD) simulations have led to great advances in many scientific
disciplines, such as chemical physics, materials science, and biophysics. This computational …

Background: Quassinoids are degraded triterpene compounds that can be obtained from
various species of the Simaroubaceae plant family, including Eurycoma longifolia …

Targeting vascular endothelial growth factor receptor (VEFGR) and its co–receptor
neuropilin–1 (NRP–1) is an interesting vascular strategy. tLyp–1 is a tumor–homing and …

Background Silene undulata is historically used for inducing vivid and prophetic lucid
dreams, but limited information exists on its phytochemical composition and potential …

In this study, a nano-drug delivery design based on (8, 8) carboxylated single-walled carbon
nanotube (CNT-COOH) and folic acid (FA) decorated on CNT-COOH (CNT-FA) were …

In research, anticancer agents, such as thiourea derivative compounds, and metal
complexes, such as those complexed with iron (III) metal, are often studied. The metal …

This review highlights the role of computational chemistry, specifically quantum and
molecular mechanics, in the development of folate‐based anticancer drugs. Folate receptors …

Alzheimer's disease, characterized by a decline in cognitive functions, is frequently
associated with decreased levels of acetylcholine due to the overactivity of …

The current pharmacotherapies for Alzheimer's disease (AD) demonstrate limited efficacy
and are associated with various side effects, highlighting the need for novel therapeutic …

Pyridone heterocycles, such as furo [2, 3-b] pyridines, have emerged as prominent scaffolds
in medicinal chemistry due to their versatile pharmacological properties, including significant …