2026-10-13T21:52:32Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33940345 2026-09-18T18:01:43Z category_1 category_4 category_915 category_12 category_873 category_734 category_64 category_140 portal_5 item_type_3 month_year_09_2026

<p>Interface characteristics of the CPPF–TUBB3 & CPPF–TUBA1B complex as identified by PDBePISA. PDBePISA analysis was conducted on ligand–protein complexes predicted by RFAA. The interface area, number of participating atoms and residues, solvent-accessible surface area, and Gibbs free energy ( G) were computed for both - and -subunits interacting with CPPF. Values in parentheses indicate the proportion relative to the total number of atoms or residues in the protein or ligand.</p> Jixin Yang (345976) Lisha Liang (16839548) Dengchao Zhu (25073614) Xuzhe Yin (25073617) Yizhuo Feng (25073620) Shaojun Tang (2546617) Muzi Li (698159) Biophysics Biochemistry Physical Sciences not elsewhere classified Cell Biology Chemical Sciences not elsewhere classified Biological Sciences not elsewhere classified Cancer Cardiology pyridinyl )- 2 div >< p >&# 946 ;</ >&# 945 ;</ 5 -( 3 targeting anticancer agent resistant cell lines plausible binding mode novel therapeutic drugs favorable binding energetics tubulin conformational state inhibit tubulin polymerization >- tubulin contacts /- tubulin heterodimers cppf could suppress disrupt microtubule growth /- tubulin interface novel microtubule resistant cancers binding assays anticancer potential straight microtubule tubulin residues tubulin exhibited tubulin conformations cppf binding validated targets two major tumor efficacy taken together structural hypothesis results showed preserved across particularly val236 often compromised monomer comparisons molecular dynamics mdr ). integrative ai fundamental mechanism findings establish experimental validation energy minima dominant contributions demonstrate anti comparable mm broader free animal models <p>Interface characteristics of the CPPF–TUBB3 & CPPF–TUBA1B complex as identified by PDBePISA. PDBePISA analysis was conducted on ligand–protein complexes predicted by RFAA. The interface area, number of participating atoms and residues, solvent-accessible surface area, and Gibbs free energy ( G) were computed for both - and -subunits interacting with CPPF. Values in parentheses indicate the proportion relative to the total number of atoms or residues in the protein or ligand.</p> 2026-09-18T18:00:35Z Dataset Dataset 10.1371/journal.pcbi.1014804.t002 https://figshare.com/articles/dataset/_p_Interface_characteristics_of_the_CPPF_TUBB3_CPPF_TUBA1B_complex_as_identified_by_PDBePISA_PDBePISA_analysis_was_conducted_on_ligand_protein_complexes_predicted_by_RFAA_The_interface_area_number_of_participating_atoms_and_residues_solvent/33940345 CC BY 4.0