In silico screening based on the structures of the ligands or of the receptors has become an essential tool to facilitate the drug discovery process but compound collections are needed to carry out such in silico experiments. It has been recognized that absorption, distribution, metabolism, excretion and toxicity (ADME/tox) are key properties that need to be considered early on, even during the...

Objective: Asparagus racemosus, the source of Asparagamine A, has been known for its multifaceted therapeutic actions. But these actions have hardly been attributed to Asparagamine A, a polycyclic pyrrolizidine alkaloid. Methods: In the present study, a molecular docking of Asparagamine A with critical proteins associated with many diseases. Farnesyl Pyrophosphate Synthase (FPPS) in osteoporosi...

In-silico Computer-Aided Drug Design (CADD) significantly relies on cybernetic screening of Plant Based Natural Products (PBNPs) as a prime source bioactive compounds/ drug leads due to their unique chemical structural scaffolds and distinct functional characteristic features amenable design development. In the Post-COVID-Era large number publications have focused PBNPs. Moreover, PBNPs still r...

Background: Cardiovascular disease is the leading cause of death in world. The therapeutic activity Monascus sp. pigment can act as an anticardiovascular agent. Research on rapidly developing, including discovery new pigments, methods used, and their identification. Currently, there are 57 dyestuff compounds that have been successfully isolated from molds. So, researchers conducted in-silico st...