Medicinal polypharmacology is one answer to the complex reality of multifactorial human
diseases that are often unresponsive to single-targeted treatment. It is an admittance that …

As an important theoretical computation method in computer-aided drug design, molecular
docking has significantly shifted the paradigm of drug discovery. As one of the open-source …

To valorise the bioactive constituents abundant in leaves and other parts of medicinal plants
with the objective to minimize the plant-based wastes, this study was undertaken. The main …

The identification of targets for candidate molecules is a pivotal stride in the drug
development journey, encompassing lead discovery, drug repurposing, and the scrutiny of …

Alzheimer's disease (AD) is a complex neurodegenerative disorder, with existing therapeutic
drugs typically targeting specific disease stages. Traditional Chinese medicine (TCM) …

Target identification plays a critical role in preclinical drug development. The in silico
approach has been developed and widely applied to assist medicinal chemists and …

Agarwood essential oil is prized for its elegant aroma and pharmacological properties;
however, the traditional hydrodistillation method suffers from inefficiencies, constraining the …

Tuberculosis (TB) is an infectious disease that primarily affects the lungs of humans and
accounts for Mycobacterium tuberculosis (Mtb) bacteria as the etiologic agent. In this study …

Abstract Structure-based virtual screening of binding of candidate drug molecules is a topic
of increasing interest in the discovery of small molecule drugs. As the same drug molecule …

Ethnopharmacological relevance Saffron, a traditional Chinese medicine, is derived from
Crocus sativus L. stigmas and has been reported to possess neuroprotective properties and …