Virtual high throughput screening versus hit validation

Virtual High Throughput Screening (vHTS) is a computational approach used in drug discovery to screen large libraries of compounds against a target of interest, usually a protein. It is an alternative to traditional experimental High Throughput Screening (HTS) and significantly reduces costs and time by filtering potential drug candidates through in silico methods. By leveraging virtual screening methods, researchers can narrow down the list of potential drug candidates for further experimental validation, speeding up the discovery process and reducing costs.

Hit validation is a critical step in drug discovery that follows hit identification. It involves confirming whether the “hits” (compounds identified as active in initial screening) are genuinely interacting with the biological target and showing reproducible biological activity. This step helps to eliminate false positives and identify the most promising lead compounds for further development.