Herbicides are critical resources for meeting agricultural demand. While similar in structure
and function to pharmaceuticals, the development of new herbicidal mechanisms of action …

Abstract Er-Zhi-Wan (EZW), a classical traditional Chinese formulation, has attracted more
and more attention. This study was carried out to analyze the constituents of EZW absorbed …

Erlotinib and gefitinib are quinazoline derivatives with antineoplastic properties. Usually,
intake of antineoplastic agents results in much a greater degree of oxidative stress, ie the …

Docking studies play a critical role in the current workflow of drug discovery. However,
limitations may often arise through factors including inadequate ligand sampling, a lack of …

Glipizide is an N-sulfonylurea compound used in the treatment of hyperglycemia in patients
with type 2 diabetes mellitus. In the present study, DFT-based computational methods and …

Nitric oxide (NO) is one of the major signalling molecules in the mammalian body playing
critical role in regulation of blood pressure, cardiovascular disease including stroke, immune …

Nowadays, advanced computational chemistry methods offer various strategies for revealing
prospective hit structures in drug development essentially through accurate binding free …

We report the discovery of two new 2‐aminothiophene based small molecule positive
allosteric modulators (PAMs) of glucagon‐like peptide 1 receptor (GLP‐1R) for the treatment …

Polypeptides provide unique possibilities for the development of efficient and selective
fluorescent probes for different biomarkers because of their highly modular nature, the …

Molecular docking is an essential structure-based technique that is frequently used for
virtual screenings. In most cases, the precision of search algorithms of the modern docking …