Supplementary Methods from EC359: A First-in-Class Small-Molecule Inhibitor for Targeting Oncogenic LIFR Signaling in Triple-Negative Breast Cancer
Year: 2023
Type: supplementary-materials
Abstract: Supplementary methods section contain description of synthesis and characterization of EC330 and EC359, SPR studies, structural and sequence comparison of human and mouse LIFR, energy minimization of hLIFR, Protein and ligand preparation, molecular docking and MM-GBSA calculations, and molecular dynamics simulation.
Authors: Suryavathi Viswanadhapalli, Yiliao Luo, Gangadhara R. Sareddy, Bindu Santhamma, Mei Zhou, Mengxing Li, Shihong Ma, Rajni Sonavane, Uday P. Pratap, Kristin A. Altwegg, Xiaonan Li, Annabel Chang, Alejandra Chávez-Riveros, Kalarickal V. Dileep, Kam Y.J. Zhang, Xinlei Pan, Ramachandran Murali, Marek Bajda, Ganesh V. Raj, Andrew J. Brenner, Vijaya Manthati, Manjeet K. Rao, Rajeshwar R. Tekmal, Hareesh B. Nair, Klaus J. Nickisch, Ratna K. Vadlamudi
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: gold
OpenAlex ID: W4362494466