Natural products (NPs) are primarily recognized as privileged structures to interact with
protein drug targets. Their unique characteristics and structural diversity continue to marvel …

Developments in computational omics technologies have provided new means to access
the hidden diversity of natural products, unearthing new potential for drug discovery. In …

Abstract Molegro Virtual Docker is a protein-ligand docking simulation program that allows
us to carry out docking simulations in a fully integrated computational package. MVD has …

Despite the frightening mortality rate associated with COVID-19, there is no known approved
drug to effectively combat the pandemic. COVID-19 clinical manifestations include fever …

Background Malaria remains a significant public health challenge in regions of the world
where it is endemic. An unprecedented decline in malaria incidences was recorded during …

Background Hepatic fibrosis is considered integral to the progression of chronic liver
diseases, as it leads to the development of cirrhosis and hepatocellular carcinoma. The …

AutoDock is one of the most popular receptor-ligand docking simulation programs. It was
first released in the early 1990s and is in continuous development and adapted to specific …

The increasing of intracellular calcium concentration is a fundamental process for mediating
osteoclastogenesis, which is involved in osteoclastic bone resorption. Cytosolic calcium …

Introduction: Inflammatory bowel disease (IBD) is a systemic disease with immune
abnormalities that can affect the entire digestive tract. A high percentage of patients with IBD …

Background In silico target prediction of compounds plays an important role in drug
discovery. The chemical similarity ensemble approach (SEA) is a promising method, which …