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. 2022 Nov 11;23(22):13946. doi: 10.3390/ijms232213946

Figure 8.

Figure 8

Schematic representation of the steps along the virtual high-throughput screening (vHTS) process. The general strategy involved the arbitrary selection of a set of drug-like molecules retrieved from the ZINC database, the combination of pharmacophore modeling and docking procedures, the analysis of molecular descriptors (MW, LogP, Jaccard–Tanimoto coefficient), and the biological evaluation of two non-classical hit compounds.