Document is current
Any future updates will be listed below
-
Authors
Rahman, Shamo
Rahman, Ahesanur
Huang, Yu-ming M.
Hossen, Md Lokman
-
Funding
Funding for this research was provided by:
UNESCO-TWAS and the Swedish International Development and Cooperation Agency, (24-294 RG/PHYS/AS_I)
- License Information
-
More Information
Article History
Received: 27 October 2025
Accepted: 6 March 2026
First Online: 19 March 2026
Declarations
:
: The authors declare no competing interests.
: The following supporting information is available online: Supplementary Fig. 1 presents the Atg4 modelled structure with pTM and plDDT scores. Supplementary Table . Details information on 2D interactions between protein residues and ligands. Supplementary Table 2. Detail pharmacokinetic properties of ligands. Supplementary Figs. 2–4 present RMSD, RMSF, and radius of gyration (Rg) profiles from three independent 1000 ns simulations of protein–ligand complexes. Panels A–F correspond to the six systems: 31 h-Phthalocyanine, rebastinib, flumatinib, zafirlukast, beigene-283, and radotinib.
