Published: June 3, 2024
To prevent malaria deathly infections, the Plasmodium circumsporozoite major protein (CSP) have been targeted world-wide to develop most recent vaccines inducing anti-CSP antibodies. In contrast, drug-like complement that tool-box, remain underdeveloped. Despite tridimensional coat of disordered-repeats, computational predictions mimicking natural co-evolution tailored evolved ligands adapt ordered CSP cavities. Tens thousands parent-generated raw-candidates selected hundreds fitted-children conformers predicting low nanoMolar affinities, toxicities, and cross-docking N-terminal signal peptide with C-terminal α-helices or docking These repeat-independent predictions, could provide some proof-of-concept examples for basic in vitro experimentation
Language: Английский