Theoretical Study of Natural Product Biosynthesis Using Computational Chemistry


Chem Pharm Bull (Tokyo). 2024;72(6):524-528. doi: 10.1248/cpb.c24-00082.


The biosynthetic pathways of natural products are complicated, and it is difficult to fully elucidate their details using experimental chemistry alone. In recent years, efforts have been made to elucidate the biosynthetic reaction mechanisms by combining computational and experimental methods. In this review, we will discuss the biosynthetic studies using computational chemistry for various terpene compounds such as cyclooctatin, sesterfisherol, quiannulatene, trichobrasilenol, asperterpenol, preasperterpenoid, spiroviolene, and mangicol.

PMID:38825452 | DOI:10.1248/cpb.c24-00082