Protein tyrosine phosphatase 1B (PTP1B) is a well-known and promising drug target involved in the negative regulation of insulin and leptin signaling, and new anti-diabetic molecules for the treatment of type 2 diabetes are directly in its hands. A series of PTP1B inhibitors was discovered and characterized using in silico techniques, including virtual screening, molecular docking, ADMET profiling, toxicity prediction, VEGA-QS...