Exploring the Relationship between PheSA Scores and Ligand Efficiency in the Discovery of Potent Antimalarials: A Computational Perspective

• Main Authors: Agede O. Ayodele (Author), Ogunmodede J. Ayodele (Author), Sanni Nasiru (Author), Wasagu I. Musa (Author), Oyedepo Dapo Sunday (Author), Aiyedun Olawale Stephen (Author), Falade C. Olufunke (Author)
• Format: Book
• Published: Mulawarman University, 2024-06-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Pharmacophore Enhanced Shape Alignment (PheSA) compares the similarities of compounds based on their pharmacophoric and geometrical  characteristics. Ligand efficiency is a notion used to maximize the potency and effectiveness of medication candidates by taking into account their molecular weight an...