Lung cancer is one of the leading cancers and causes of cancer-related deaths worldwide.
Due to its high prevalence and mortality rate, its clinical management remains a significant …

Molecular docking and molecular dynamics aided virtual search of OliveNet™ directory
identified potential secoiridoids that combat SARS-CoV-2 entry, replication, and associated …

Dengue virus (DENV) is a danger to more than 400 million people in the world, and there is
no specific treatment. Thus, there is an urgent need to develop an effective method to …

Computational docking programs generally predict many candidates for ligand poses, and
only one or few poses should be selected for later drug design. In this study, we performed …

Abstract SARS-CoV-2 main protease (M pro) cleaves the viral polypeptide 1a and 1ab in a
site-specific ((LQ|(S, A, G)) manner and produce functional enzymes for mediating viral …

Motivation Cyclization is a common strategy to enhance the therapeutic potential of
peptides. Many cyclic peptide drugs have been approved for clinical use, in which the …

Cyclic peptides formed by disulfide bonds have been one large group of common drug
candidates in drug development. Structural information of a peptide is essential to …

Fruit bromelain is a cysteine protease accumulated in pineapple fruits. This proteolytic
enzyme has received high demand for industrial and therapeutic applications. In this study …

In the antibacterial arsenal, β-lactams have held a prominent position, but increasing
resistance due to unauthorized use and genetic factors requires new strategies. Combining …

The new corona virus (nCoV) is aetiological agent responsible for the viral pneumonia
epidemic. Three is no specific therapeutic medicines available for the treatment of this …