Journal of Computer-Aided Molecular Design

Colorectal cancer (CRC) is one of the common malignant tumors of the gastrointestinal tract, encompassing both colon cancer and rectal cancer. This study explores the therapeutic potential of T. wilfordii in CRC through network pharmacology, molecular docking, and in vitro experiments. Active components of T. wilfordii were screened using oral bioavailability (OB ≥ 30%) and drug-likeness (DL ≥ 0.…

Abstract Voltage-gated sodium channel Na V 1.7 is a key mediator of electrical excitability and signal transmission in peripheral nociceptors and has emerged as a highly attractive therapeutic target for the development of novel analgesic agents. However, the development of selective Na V 1.7 inhibitors has been characterized by significant challenges, with repeated failures in clinical trials de…