Virtual screening is a much discussed topic in chemoinformatics and medicinal chemistry,
and widely applied in pharmaceutical research. Here, we provide an in-depth analysis of …

Quinoxalines, also known as benzo [a] pyrazines, constitute an important class of nitrogen-
containing heterocyclic compounds as a result of their widespread prevalence in natural …

Virtual screening has played a significant role in the discovery of small molecule inhibitors of
therapeutic targets in last two decades. Various ligand and structure-based virtual screening …

P-glycoprotein (Pgp or ABCB1) is an ABC transporter protein involved in intestinal
absorption, drug metabolism, and brain penetration, and its inhibition can seriously alter a …

Thymoquinone (TQ) has been shown to exhibit antitumor properties. Thymoquinone‐loaded
nanostructured lipid carrier (TQ‐NLC) was developed to improve the bioavailability and …

Thymoquinone (TQ), the active constituent of Nigella sativa or black cumin exhibited
cytotoxic effects in several cancer cell lines. In this study, the cytotoxicity of TQ in human …

The structural comparison of protein binding sites is increasingly important in drug design;
identifying structurally similar sites can be useful for techniques such as drug repurposing …

Our current understanding of the mechanisms of action of antitumor agents and the precise
mechanisms underlying drug resistance is that these two processes are directly linked …

Pharmacophore elucidation approaches are routinely used in drug discovery, primarily with
the aim of determining the three-dimensional arrangement of common features shared by …

The last step of cysteine biosynthesis in bacteria and plants is catalyzed by O-acetylserine
sulfhydrylase. In bacteria, two isozymes, O-acetylserine sulfhydrylase-A and O-acetylserine …