Ever since coronavirus disease 2019 (COVID-19), caused by SARS-CoV-2, was declared a
pandemic on March 11, 2020, by the WHO, a concerted effort has been made to find …

Plant natural products (PNP)(eg, secondary vegetal metabolites and their derivatives) have
been a productive source of active ingredients for the pharmaceutical industry. The High …

Protein folding and receptor–ligand recognition are fundamental processes for any living
organism. Although folding and ligand recognition are based on the same chemistry, the …

One of the main problems that the drug discovery research field confronts is to identify small
molecules, modulators of protein function, which are likely to be therapeutically useful …

Culinary herbs are the key players in traditional cuisines from various cultures due to their
effect on olfaction. Additionally, the presence of bioactive compounds in these herbs and …

Dataset supporting the University of Southampton Doctoral Thesis" Total synthesis of natural
product-like 3D molecular scaffolds for drug discovery". The data contains: Specific rotation …

A three variables mathematical function is proposed, useful for the identification of molecular
fragments, as" chemical groups", in an analyzed molecule. The non-linear and …

Abstract Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) caused a global
healthcare crisis due to COVID-19 pandemic. In absence of efficacious antiviral drugs …

Natural compounds and derivatives play an essential role in the pharmaceutical industry,
however, the difficulty in resynthesizing natural products or isolate them from the native host …

Gut microbiome dramatically impacts human health and an imbalance in its composition can
lead to diseases like Inflammatory Bowel Disease (IBD)-ulcerative colitis (UC) and Crohn's …