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Quantitative structure-cytotoxicity relationships of sesquiterpene lactones derived from partial charge (q)-based fractional accessible surface area descriptors (q_frASAs)

Schmidt, Thomas J. and Heilmann, Jörg (2002) Quantitative structure-cytotoxicity relationships of sesquiterpene lactones derived from partial charge (q)-based fractional accessible surface area descriptors (q_frASAs). Quantitative structure activity relationships 21 (3), pp. 277-287.

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Abstract

In continuation of a previous QSAR study on the cytotoxicity of 20 sesquiterpene lactones (STLs) of the helenanolide type towards a mouse tumor cell line where a very strong correlation of activity with only two indicator variables encoding the nature of the present alpha ,beta -unsatd. carbonyl structure elements (cyclopentenone and alpha -methylene-gamma -lactone structure) was found, it was ...

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Item type:Article
Date:2002
Additional Information (public):CAN 138:265132 1-3 Pharmacology 470-17-7; 509-93-3; 546-43-0; 553-21-9; 1748-81-8; 1856-58-2; 2571-81-5; 4290-13-5; 5938-03-4; 5945-41-5; 6754-13-8; 6754-14-9; 6895-47-2; 10180-86-6; 10247-71-9; 13250-08-3; 14682-46-3; 16886-36-5; 17066-68-1; 18045-83-5; 18542-37-5; 19888-11-0; 20071-38-9; 20071-53-8; 20107-21-5; 20107-22-6; 20107-26-0; 20501-52-4; 21899-56-9; 24112-95-6; 28230-81-1; 28230-82-2; 28624-12-6; 34175-79-6; 34257-95-9; 34532-66-6; 35413-85-5; 36505-53-0; 40737-22-2; 53658-84-7; 60109-20-8; 68776-46-5; 68776-54-5; 78798-42-2; 78853-98-2; 113373-49-2; 173401-51-9; 173401-52-0; 241165-54-8; 427893-97-8; 427893-98-9; 427893-99-0; 503551-47-1; 503551-48-2; 503551-49-3; 503551-50-6; 503551-51-7; 503551-53-9; 503551-54-0; 503551-55-1; 503551-57-3; 503551-60-8; 503551-61-9; 503551-62-0; 503551-63-1; 503551-65-3 Role: BSU (Biological study, unclassified), PAC (Pharmacological activity), PRP (Properties), THU (Therapeutic use), BIOL (Biological study), USES (Uses) (quant. structure-cytotoxicity relationships of sesquiterpene lactones derived from partial charge (q)-based fractional accessible surface area descriptors)
Institutions:Chemistry and Pharmacy > Institute of Pharmacy > Pharmaceutical Biology (Prof. Heilmann)
Identification Number:
ValueType
2002:694933Other
Keywords:QSAR (antitumor quant. structure-cytotoxicity relationships of sesquiterpene lactones derived from partial charge (q)-based fractional accessible surface area descriptors) Uterus (cervix, carcinoma quant. structure-cytotoxicity relationships of sesquiterpene lactones derived from partial charge (q)-based fractional accessible surface area descriptors) Carcinoma (cervix quant. structure-cytotoxicity relationships of sesquiterpene lactones derived from partial charge (q)-based fractional accessible surface area descriptors) Sesquiterpenes Role: BSU (Biological study, unclassified), PAC (Pharmacological activity), PRP (Properties), THU (Therapeutic use), BIOL (Biological study), USES (Uses) (eudesmanolides quant. structure-cytotoxicity relationships of sesquiterpene lactones derived from partial charge (q)-based fractional accessible surface area descriptors) Sesquiterpenes Role: PAC (Pharmacological activity), PRP (Properties), THU (Therapeutic use), BIOL (Biological study), USES (Uses) (lactones quant. structure-cytotoxicity relationships of sesquiterpene lactones derived from partial charge (q)-based fractional accessible surface area descriptors) Structure-activity relationship (natural products quant. structure-cytotoxicity relationships of sesquiterpene lactones derived from partial charge (q)-based fractional accessible surface area descriptors) Antitumor agents Conformation Drug design Drug targets Electrophilicity Human Molecular modeling Molecular surface QSPR Surface area (quant. structure-cytotoxicity relationships of sesquiterpene lactones derived from partial charge (q)-based fractional accessible surface area descriptors) Epoxides Role: BSU (Biological study, unclassified), BIOL (Biological study) (quant. structure-cytotoxicity relationships of sesquiterpene lactones derived from partial charge (q)-based fractional accessible surface area descriptors) Germacranolides Guaianolides Natural products Pseudoguaianolides Role: BSU (Biological study, unclassified), PAC (Pharmacological activity), PRP (Properties), THU (Therapeutic use), BIOL (Biological study), USES (Uses) (quant. structure-cytotoxicity relationships of sesquiterpene lactones derived f Carbonyl compounds Role: BSU (Biological study, unclassified), BIOL (Biological study) (alpha ,beta -unsatd. quant. structure-cytotoxicity relationships of sesquiterpene lactones derived from partial charge (q)-based fractional accessible surface area descriptors) sesquiterpene lactone antitumor structure surface area electrophilicity cervix carcinoma mol model conformation QSAR anticancer cervix sesquiterpenelactone metab
Dewey Decimal Classification:500 Science > 570 Life sciences
500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:No
Item ID:17207
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