Supplementary Methods, Figures 1 - 2, Tables 1 - 2 from Old Drug New Use—Amoxapine and Its Metabolites as Potent Bacterial β-Glucuronidase Inhibitors for Alleviating Cancer Drug Toxicity
Year: 2023
Type: supplementary-materials
Abstract: PDF file - 506KB, Supp. Fig. S1 2D structures of Amoxapine, Amoxapine's metabolites, Loxapine, and the previous reported potent GUS inhibitors - Inhibitor 1 and 2. Suppl. Fig. S2 The initial structures (left panel, Before MD) and the last snapshots (right panel, After MD) taken from 4 ns MD simulation. Supp. Table S1. Hydrogen bonds formed by ligand and protein during the last 2 ns simulation. Supp. Table. S2 Histologic score and Ki-67-positive cells of the examined tissue.
Authors: Ren Kong, Timothy Liu, Xiaoping Zhu, Syed Ahmad, Alfred L. Williams, Alexandria T. Phan, Hong Zhao, John E. Scott, Li-An Yeh, Stephen T.C. Wong
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: gold
OpenAlex ID: W4362395423