Abstract:

It is our aim to establish the CoMFA models of the en-t kauranoids from Isodon x erophilus and guide the design for
new ant-i cancer drugs. The advanced 3D-QSAR ( quantitative structure- activity relationship) method CoMFA ( comparative molecular
field analysis) was used to study the QSAR relationship of en-t kauranoids with cytotoxicity activity in vitro and led to four
CoMFA models. The results of CoMFA models reveal the 3D- relationship between bioactivities and structures of these en-t kauranoids,
and will be helpful to further design and find new drugs for higher ant-i cancer activities.

Key words: Isodon xerop hilus , En-t kaurenoids, Cytotoxicity, 3D-QSAR, CoMFA