Jean Yves Takoua Bella

Comparative virtual screening of African natural products against sickle haemoglobin: the β-chain hydrophobic acceptor pocket outperforms the Valβ6 surface for lateral-contact inhibition

Sickle cell disease arises from the Gluβ6→Valβ6 substitution in haemoglobin, which drives polymerisation through a lateral contact where Valβ6 inserts into a hydrophobic acceptor pocket on an adjacent β-chain. We compared two non-covalent inhibition strategies – capping Valβ6 and...