title: X-ray structure investigation of (20S)-20-O-beta-D-glucopyranosyl-protopanaxadiol and antitumor effect on Lewis lung carcinoma in vivo.
abstract: (20S)-20-O-beta-D-Glucopyranosyl-protopanaxadiol (1) has been isolated as a metabolite of ginseng saponins by Paecilomyces bainier. The compound crystallizes in the monoclinic space group P2(1) with unit cell parameters a=11.523(6) A, b=12.383(6) A, c=14.233(7) A, beta=96.862(9) degrees , and Z=2. The crystal structure has been solved by direct methods and refined to R=0.0536 for 4569 observed reflections. In the crystal structure, the water and methanol molecules link the molecules into infinite supramolecular layers through hydrogen bonds. The antitumor property of 1 was tested in vivo towards the inhibition of Lewis lung carcinoma growth. The results indicated that the antitumor effect of 1 was ordinary on monotherapy. However, comparing the antitumor activity of 1 plus cyclophosphamide (CTX) with that of CTX alone, the combination effect was significantly superior and synergistic. This may due to immunoloregulation activity of 1 by improving the WBC, IL-2 and INF-gamma degraded by CTX.
authors.affiliation: Department of Biosynthetic Drug, School of Pharmacy, Fudan University, 138 YiXueYuan Road, Shanghai, R. P. China.
authors.forename: Wei
authors.initials: W
authors.lastname: Zhou
authors.forename: Meiqing
authors.initials: M
authors.lastname: Feng
authors.forename: Xinwei
authors.initials: X
authors.lastname: Li
authors.forename: Qin
authors.initials: Q
authors.lastname: Yan
authors.forename: Chaoqun
authors.initials: C
authors.lastname: Zhou
authors.forename: Jiyang
authors.initials: J
authors.lastname: Li
authors.forename: Pei
authors.initials: P
authors.lastname: Zhou