The DPPH radical scavenging assay is a simple and widely used screening for bioactive compound discovery.
Currently, the multi-target compound discovery techniques, namely the linker strategy, framework combination and cross virtual screening approach, have been developed.
In this work, we introduce a comprehensive system using enteroviruses 71EV7171) as an example for leading compound discovery to develop new antiviral.
Utilisation of toxicity information in conjunction with modelling techniques contribute to reduce the number of animal tests and decreases the cost of the new chemical compound discovery process.
In many domains of life sciences such as pharmacology, cosmetics and food protection, toxicity assessment at the early stage in a chemical compound discovery process is receiving increasing attention.
A reliable prediction of toxic effects of chemicals in living systems is highly desirable in cosmetics, drug design or food protection to speed up the process of chemical compound discovery while reducing the need for lab tests.
A new computer-aided drug design program, the FRESH workflow, was used for anti-CXCR4 lead compound discovery and optimization, which coupled both compound library building and CXCR4 docking screens in one campaign.
The application of metabolomics to investigating the cell secretome has garnered popularity owing to the method's large-scale data output, biochemical insight, and prospects for novel target compound discovery.
In this paper, we describe the process for full pairwise analysis of our high-throughput ADME assays routinely used for compound discovery efforts at Pfizer (microsomal clearance, passive membrane permeability, P-gp efflux, and lipophilicity).
Although high-throughput biochemical screening is still the predominant technique for lead compound discovery, the success of in silico screening in identifying drug leads has led to the growing use of virtual screening as a complement to traditional empirical methods [3, 4].
