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1.
Pattara Tiew Hiromitsu TakayamaMariko Kitajima Norio AimiUdom Kokpol Warinthorn Chavasiri 《Tetrahedron letters》2003,44(35):6759-6761
Three new compounds, mansoxetane; 4′-(3-hydroxy-1,2-oxetanyl)-2′,2-dihydroxy-4-(2-formyl-1-ethyl)-6′,6-dimethoxy biphenyl, and mansonones R and S, together with two previously reported coumarins, mansorins A and C, and four known mansonones, mansonones C, E, G and H, were obtained from the methanolic extract of the heartwood from Mansonia gagei Drumm. Their structures were established by spectroscopic methods. 相似文献
2.
Bernd M. Rode Michael G. Schwendinger Sirirat U. Kokpol Supot V. Hannongbua Supa Polman 《Monatshefte für Chemie / Chemical Monthly》1989,120(11):913-921
Summary Linear models for the relation between electronic structure and antimalarial activity of chloroquine drugs have been investigated, based on CNDO/2 molecular orbital calculations. The results indicate that changes in electron density on the atoms N1, N2, C4, C9, and C10 have the strongest influence on the pharmacological activity, so that these atoms can be assumed to form the main active center of these drugs. Correlations improve, if substitution on the nucleus of chloroquine and side chain variations are treated separately. The models found seem to be a useful tool for designing new drugs within the chloroquine series.
Quantenchemisch-pharmakologische Untersuchungen von Antimalaria-Wirkstoffen
Zusammenfassung Auf der Basis von CNDO/2-Rechnungen wurden lineare Modelle für die Relation zwischen Elektronenverteilung und der Antimalaria-Aktivität von Chlorochinen untersucht. Es zeigte sich, daß Veränderungen in den Elektronendichten der Atome N1, N2, C4, C9 und C10 den stärksten Einfluß auf die pharmakologische Wirkung haben. Es kann somit angenommen werden, daß diese Atome die hauptsächlich aktiven Zentren der Verbindung sind. Die Korrelation wird verbessert, wenn die Substitution am Chlorochin-Kern und Variationen der Seitenketten separat behandelt werden. Die aufgefundenen Modellvorstellungen sollten ein nützliches Werkzeug zur gezielten Synthese neuer Wirkstoffe innerhalb der Chlorochin-Reihe darstellen.相似文献
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4.
Taechapoempol K Sreethawong T Rangsunvigit P Namprohm W Thamprajamchit B Rengpipat S Chavadej S 《Applied biochemistry and biotechnology》2011,164(2):204-219
The three highest hydrolysis-capacity-value isolates of Bacillus subtilis (A 002, M 015, and F 018) obtained from Thai higher termites, Microcerotermes sp., under different isolation conditions (aerobic, anaerobic, and anaerobic/aerobic) were tested for cellulase activities—FPase,
endoglucanase, and β-glucosidase—at 37 °C and pH 7.2 for 24 h. Their tolerance to an ionic liquid, 1-butyl-3-methylimidazolium
chloride ([BMIM]Cl), was also investigated. The results showed that the isolate M 015 provided the highest endoglucanase activity
whereas the highest FPase and β-glucosidase activities were observed for the isolate F 018. The isolate F 018 also showed
the highest tolerance to [BMIM]Cl in the range of 0.1–1.0 vol.%. In contrast, the isolate A 002 exhibited growth retardation
in the presence of 0.5–1.0 vol.% [BMIM]Cl. 相似文献
5.
Three new tetracyclic triterpenes, aglaiondiol and two isomers of aglaitriol, were isolated from the light petroleum extracts of leaves of Aglaia odorata. The isomers of aglaitriol (2) were separated by fractional crystallisation of the triacetates which on hydrolysis gave the epimers 2c and 2d. The structures of 2c, 2d and aglaiondiol (3) have been established by interconversion with aglaiol (1). 相似文献
6.
Kumarn S Oelke AJ Shaw DM Longbottom DA Ley SV 《Organic & biomolecular chemistry》2007,5(16):2678-2689
A sequential, organocatalysed asymmetric reaction to access chiral 1,2-oxazines and chiral pyridazines is reported, which proceeds in moderate to good yields and good to excellent enantioselectivities. 相似文献
7.
Preecha Phuwapraisirisan Thanchanok Puksasook Udom Kokpol Khanit Suwanborirux 《Tetrahedron letters》2009,50(42):5864-5867
Corchorus olitorius, a highly fibrous vegetable commonly known as moroheiya, has long been recognized for its hypoglycemic activity. Bioassay-guided fractionation of the leaf extract led to the isolation of two new flavonol glycosides named corchorusides A and B, in addition to a major component, capsugenin-25,30-O-β-diglucopyranoside. Corchoruside A comprises a kaempferol moiety connected with caffeic acid, glucose, and a rare methyl glucuronate (MeGlcA). The occurrence of a caffeoyl moiety in corchoruside A enhanced significantly its inhibitory effect toward α-glucosidase compared to that in corchoruside B. 相似文献
8.
Nueangaudom A Lugsanangarm K Pianwanit S Kokpol S Nunthaboot N Tanaka F 《Physical chemistry chemical physics : PCCP》2012,14(8):2567-2578
The structural basis for the temperature-induced transition in the D-amino acid oxidase (DAAO) monomer from pig kidney was studied by means of molecular dynamic simulations (MDS). The center to center (Rc) distances between the isoalloxazine ring (Iso) and all aromatic amino acids (Trp and Tyr) were calculated at 10 °C and 30 °C. Rc was shortest in Tyr224 (0.82 and 0.88 nm at 10 and 30 °C, respectively), and then in Tyr228. Hydrogen bonding (H-bond) formed between the Iso N1 and Gly315 N (peptide), between the Iso N3H and Leu51 O (peptide) and between the Iso N5 and Ala49 N (peptide) at 10 °C, whilst no H-bond was formed at the Iso N1 and Iso N3H at 30 °C. The H-bond of Iso O4 with Leu51 N (peptide) at 10 °C switched to that with Ala49 N (peptide) at 30 °C. The reported fluorescence lifetimes (228 and 182 ps at 10 and 30 °C, respectively) of DAAO were analyzed with Kakitani and Mataga (KM) ET theory. The calculated fluorescence lifetimes displayed an excellent agreement with the observed lifetimes. The ET rate was fastest from Tyr224 to the excited Iso (Iso*) at 10 °C and from Tyr314 at 30 °C, despite the fact that the Rc was shortest between Iso and Tyr224 at both temperatures. This was explained by the electrostatic energy in the protein. The differences in the observed fluorescence lifetimes at 10 and 30 °C were ascribed to the differences in electron affinity of the Iso* at both temperatures, in which the free energies of the electron affinity of Iso* at 10 and 30 °C were -8.69 eV and -8.51 eV respectively. The other physical quantities related to ET did not differ appreciably at both temperatures. The electron affinities at both temperatures were calculated with a semi-empirical molecular orbital method (MO) of PM6. Mean calculated electron affinities over 100 snapshots with 0.1 ps intervals were -7.69 eV at 10 °C and -7.59 eV at 30 °C. The difference in the calculated electron affinities, -0.11 eV, was close to the observed difference in the free energies, -0.18 eV. The present quantitative analysis predicts that the highest ET rate can occur from a donor with longer donor-acceptor distance, which was explained by differences in electrostatic energy. 相似文献
9.
Sujittra Deesamer Udom Kokpol Warinthorn Chavasiri Soazig Douillard Vincent Peyrot Nicolas Vidal Sebastien Combes Jean-Pierre Finet 《Tetrahedron》2007,63(52):12986-12993
Mucronulatol 1 and violanone 2 isolated from Dalbergia oliveri Gamble, and the corresponding isoflavone 3 were prepared by ligand coupling reactions involving organolead reagent. Biological studies have shown a significant cytotoxic effect against an HBL100 leukemia cell line only for isoflavan 1 with an IC50 value amounting to 5.7 μM. All the drugs modestly inhibit the in vitro microtubule assembly, independently of the cytotoxic ability. Natural compounds 1 and 2 have no antibacterial activity, but are potent inhibitors of the Fusarium oxysporum phytopathogenic fungal growth. 相似文献
10.
Somsak Tonmunphean Sirirat Kokpol Vudhichai Parasuk Peter Wolschann Rudolf H. Winger Klaus R. Liedl Bernd M. Rode 《Journal of computer-aided molecular design》1998,12(4):397-397
Based on the belief that structural optimization methods, producing structures more closely to the experimental ones, should give better, i.e. more relevant, steric fields and hence more predictive CoMFA models, comparative molecular field analyses of artemisinin derivatives were performed based on semiempirical AM1 and HF/3-21G optimized geometries. Using these optimized geometries, the CoMFA results derived from the HF/3-21G method are found to be usually but not drastically better than those from AM1. Additional calculations were performed to investigate the electrostatic field difference using the Gasteiger and Marsili charges, the electrostatic potential fit charges at the AM1 level, and the natural population analysis charges at the HF/3-21G level of theory. For the HF/3-21G optimized structures no difference in predictability was observed, whereas for AM1 optimized structures such differences were found. Interestingly, if ionic compounds are omitted, differences between the various HF/3-21G optimized structure models using these electrostatic fields were found. 相似文献