Related ArticlesNMR and molecular modeling study of the conformations of taxol 2'-acetate in chloroform and aqueous dimethyl sulfoxide solutions.
J Med Chem. 1996 Mar 29;39(7):1555-9
Authors: Williams HJ, Moyna G, Scott AI, Swindell CS, Chirlian LE, Heerding JM, Williams DK
Taxol 2'-acetate, an analog of the antitumor drug taxol, displays no significant in vitro microtubule polymerization activity, thus underscoring the importance of a free 2'-OH group to the biological activity of taxol. Previous work had suggested that the inactivity of taxol 2'-acetate is not due to steric interference by the acetyl group. The present study examined the conformations of taxol 2'-acetate in deuteriochloroform and (2)H2O-deuteriodimethyl sulfoxide solutions and found them to be essentially the same as the respective conformations adopted by taxol itself. Thus, neither destabilization of an active taxol conformation by the acetyl group nor the formation of an important taxol conformation determining role for the 2'-OH group appears likely. The implication of these findings is that the taxol 2'-OH group interacts directly with a protein residue in the taxol-microtubule complex, perhaps as a hydrogen bond donor.
[NMR paper] The application of x-ray, NMR, and molecular modeling in the design of MMP inhibitors
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Curr Top Med Chem. 2004;4(12):1311-27
Authors: Rush TS, Powers R
The following review discusses the successful application of X-ray, NMR, and molecular modeling in the design of potent and selective inhibitors of matrix metalloproteinases (MMPs) and TNFalpha-converting enzyme (TACE) from Wyeth. The importance of protein and ligand mobility as it impacts...
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[NMR paper] DNA-XPA interactions: a (31)P NMR and molecular modeling study of dCCAATAACC associat
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Nucleic Acids Res. 2001 Jun 15;29(12):2635-43
Authors: Buchko GW, Tung CS, McAteer K, Isern NG, Spicer LD, Kennedy MA
Recent NMR-based, chemical shift mapping...
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[NMR paper] The solution conformations of amino acids from molecular dynamics simulations of Gly-
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Biochem Cell Biol. 1998;76(2-3):164-70
Authors: van der Spoel D
The conformations that amino acids can adopt in the random coil state are of fundamental interest in the context of protein folding research and studies of protein-peptide interactions. To date, no...
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[NMR paper] The interaction of acetate and formate with cobalt carbonic anhydrase. An NMR study.
The interaction of acetate and formate with cobalt carbonic anhydrase. An NMR study.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www3.interscience.wiley.com-aboutus-images-wiley_interscience_pubmed_logo_FREE_120x27.gif Related Articles The interaction of acetate and formate with cobalt carbonic anhydrase. An NMR study.
Eur J Biochem. 1992 Sep 15;208(3):607-15
Authors: Bertini I, Luchinat C, Pierattelli R, Vila AJ
The interaction of formate and acetate ions with cobalt-substituted carbonic anhydrase (CA) has been investigated...
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[NMR paper] Use of 2D NMR, protein engineering, and molecular modeling to study the hapten-bindin
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Biochemistry. 1991 Jun 18;30(24):5851-7
Authors: McManus S, Riechmann L
Two-dimensional (2D) 1H NMR spectroscopy was used to study the hapten-binding site of a recombinant antibody Fv fragment expressed in Escherichia coli. Point mutations...
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[NMR paper] NMR and molecular modeling studies on two glycopeptides from the carbohydrate-protein
NMR and molecular modeling studies on two glycopeptides from the carbohydrate-protein linkage region of connective tissue proteoglycans.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--highwire.stanford.edu-icons-externalservices-pubmed-custom-oxfordjournals_final_free.gif Related Articles NMR and molecular modeling studies on two glycopeptides from the carbohydrate-protein linkage region of connective tissue proteoglycans.
Glycobiology. 1999 Jul;9(7):669-77
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Complete 1H and 13C NMR...
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NMR and molecular modeling study of the conformations of taxol 2'-acetate in chlorofo
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