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Rational selection of training and test sets for the development of validated QSAR models
- A. Golbraikh, Min Shen, Zhiyan Xiao, Yunde Xiao, K. Lee, A. Tropsha
- Biology, ChemistryJ. Comput. Aided Mol. Des.
- 1 February 2003
There is additional evidence that there exists no correlation between the values of q2 for the training set and accuracy of prediction (R2) for the test set and it is argued that this observation is a general property of any QSAR model developed with LOO cross-validation.
New developments in the chemistry and biology of the bioactive constituents of tanshen
This review will focus on recent developments concerning the chemical constituents of Tanshen and their biological activities and a new compound, neo‐tanshinlactone, was discovered to have potent selective antibreast cancer activity.
Small-Molecule Inhibition of Human Immunodeficiency Virus Type 1 Replication by Specific Targeting of the Final Step of Virion Maturation
Investigation of the mechanism by which 3-O-3′,3′-dimethylsuccinyl}-betulinic acid inhibits HIV-1 replication indicates that DSB specifically protects the CA-p2 cleavage site from processing by the viral protease during virion maturation, thereby revealing a novel mechanism for pharmacologic inhibition of HIV- 1 replication.
Anti-HIV benzylisoquinoline alkaloids and flavonoids from the leaves of Nelumbo nucifera, and structure-activity correlations with related alkaloids.
Recent discovery of plant-derived anti-diabetic natural products.
- H. Hung, Keduo Qian, S. Morris-Natschke, Chau-Shin Hsu, K. Lee
- MedicineNatural product reports
- 1 May 2012
In this review, recent discoveries of anti-diabetic compounds have been summarized according to their chemical structures and mechanisms of action.
Recent progress in the development of coumarin derivatives as potent anti‐HIV agents
- Donglei Yu, Madoka Suzuki, Lan Xie, S. Morris-Natschke, K. Lee
- Chemistry, BiologyMedicinal research reviews
- 1 May 2003
A dicamphanoyl‐khellactone analog, which was discovered and developed in the laboratory, and calanolide A are currently in preclinical studies and clinical trials, respectively.
Recent advances in the investigation of curcuminoids
- H. Itokawa, Q. Shi, T. Akiyama, S. Morris-Natschke, K. Lee
- Biology, ChemistryChinese medicine
- 17 September 2008
The literature between 1976 and mid-2008 on the anti-inflammatory, anti-oxidant,Anti-HIV, chemopreventive and anti-prostate cancer effects of curcuminoids are reviewed.
Isolation, structures, and structure - cytotoxic activity relationships of withanolides and physalins from Physalis angulata.
Phytochemical investigation of Physalis angulata indicated that withanolides and physalins with 4beta-hydroxy-2-en-1-one and 5beta,6beta-epoxy moieties are potential cytotoxic agents.
ELECANACIN, A NOVEL NEW NAPHTHOQUINONE FROM THE BULB OF ELEUTHERINE AMERICANA
A novel new naphthoquinone called elecanacin (9) and a new naphthalene called isoeleutherol (10) were isolated from the bulb of Eleutherine americana MERR. et HEYNE (Iridaceae), together with two…
Two new protopines argemexicaines A and B and the anti-HIV alkaloid 6-acetonyldihydrochelerythrine from formosan Argemone mexicana.
Two new protopine-type alkaloids were isolated from MeOH extracts of Formosan Argemone mexicana L. (Papaveraceae) and the known benzo[ c]phenanthridine (+/-)-6-acetonyldihydrochelerythrine exhibited significant anti-HIV activity in H9 lymphocytes with EC50 and TI values of 1.77 microg/mL and 14.6, respectively.