Related Articles1H NMR relaxation investigation of acetylcholinesterase inhibitors from huperzine A and derivative.
Bioorg Med Chem Lett. 2004 Mar 22;14(6):1585-8
Authors: Li Y, Li Q, Sun M, Song G, Jiang S, Zhu D
The binding properties of huperzine A (1) with Torpediniforms Nacline acetylcholinesterase (TnAChE) were investigated by (1)H NMR methods. The noselective, selective and double-selective spin-lattice relaxation rates were acquired in absent and present of TnAChE at a ratio [ligand]/[protein]=1:0.005. The selective relaxation rates shown protons of 1 had dipole-dipole interaction with protein active site protons. The motional correlation time of bound ligand was calculated by double-selective relaxation rate at 1 tau(2,3)=40.5 ns at 298 K, which showed 1 had high affinity with TnAChE. The experiments give a possible method to use TnAChE to locate the new huperzine A derivatives as AChE inhibitors.
[NMR paper] The application of x-ray, NMR, and molecular modeling in the design of MMP inhibitors
The application of x-ray, NMR, and molecular modeling in the design of MMP inhibitors.
Related Articles The application of x-ray, NMR, and molecular modeling in the design of MMP inhibitors.
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...
nmrlearner
Journal club
0
11-24-2010 09:25 PM
[NMR paper] In silico and NMR identification of inhibitors of the IGF-I and IGF-binding protein-5
In silico and NMR identification of inhibitors of the IGF-I and IGF-binding protein-5 interaction.
Related Articles In silico and NMR identification of inhibitors of the IGF-I and IGF-binding protein-5 interaction.
J Med Chem. 2002 Dec 19;45(26):5655-60
Authors: Kamionka M, Rehm T, Beisel HG, Lang K, Engh RA, Holak TA
Recently we have determined the crystal structure of the insulin-like growth factor-I (IGF-I) in complex with the N-terminal domain of the IGF-binding protein-5 (IGFBP-5). Here we report results of computer screening for...
nmrlearner
Journal club
0
11-24-2010 08:58 PM
[NMR paper] NMR-based modification of matrix metalloproteinase inhibitors with improved bioavaila
NMR-based modification of matrix metalloproteinase inhibitors with improved bioavailability.
Related Articles NMR-based modification of matrix metalloproteinase inhibitors with improved bioavailability.
J Med Chem. 2002 Dec 19;45(26):5628-39
Authors: Hajduk PJ, Shuker SB, Nettesheim DG, Craig R, Augeri DJ, Betebenner D, Albert DH, Guo Y, Meadows RP, Xu L, Michaelides M, Davidsen SK, Fesik SW
The NMR-based discovery of biaryl hydroxamate inhibitors of the matrix metalloproteinase stromelysin (MMP-3) has been previously described (Hajduk et al....
nmrlearner
Journal club
0
11-24-2010 08:58 PM
[NMR paper] Novel inhibitors of Erm methyltransferases from NMR and parallel synthesis.
Novel inhibitors of Erm methyltransferases from NMR and parallel synthesis.
Related Articles Novel inhibitors of Erm methyltransferases from NMR and parallel synthesis.
J Med Chem. 1999 Sep 23;42(19):3852-9
Authors: Hajduk PJ, Dinges J, Schkeryantz JM, Janowick D, Kaminski M, Tufano M, Augeri DJ, Petros A, Nienaber V, Zhong P, Hammond R, Coen M, Beutel B, Katz L, Fesik SW
The Erm family of methyltransferases confers resistance to the macrolide-lincosamide-streptogramin type B (MLS) antibiotics through the methylation of 23S ribosomal RNA. Upon...
nmrlearner
Journal club
0
11-18-2010 08:31 PM
Novel Small Molecule Inhibitors of MDR Mycobacterium tuberculosis by NMR Fragment Scr
Novel Small Molecule Inhibitors of MDR Mycobacterium tuberculosis by NMR Fragment Screening of Antigen 85C.
Related Articles Novel Small Molecule Inhibitors of MDR Mycobacterium tuberculosis by NMR Fragment Screening of Antigen 85C.
J Med Chem. 2010 Nov 12;
Authors: Scheich C, Puetter V, Schade M
Protein target-based discovery of novel antibiotics has been largely unsuccessful despite rich genome information. Particularly in need are new antibiotics for tuberculosis, which kills 1.6 million people annually and shows a rapid increase in...
nmrlearner
Journal club
0
11-16-2010 04:13 PM
[NMR paper] NMR studies of novel inhibitors bound to farnesyl-protein transferase.
NMR studies of novel inhibitors bound to farnesyl-protein transferase.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www3.interscience.wiley.com-aboutus-images-wiley_interscience_pubmed_logo_FREE_120x27.gif http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.pubmedcentral.nih.gov-corehtml-pmc-pmcgifs-pubmed-pmc.gif Related Articles NMR studies of novel inhibitors bound to farnesyl-protein transferase.
Protein Sci. 1995 Apr;4(4):681-8
Authors: Koblan KS, Culberson JC, Desolms SJ, Giuliani EA, Mosser SD, Omer CA, Pitzenberger SM, Bogusky...
nmrlearner
Journal club
0
08-22-2010 03:41 AM
[NMR paper] NMR studies of interactions between inhibitors and porcine pancreatic phospholipase A
NMR studies of interactions between inhibitors and porcine pancreatic phospholipase A2.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles NMR studies of interactions between inhibitors and porcine pancreatic phospholipase A2.
Biochimie. 1992 Sep-Oct;74(9-10):859-66
Authors: Peters AR, Dekker N, van den Berg L, Boelens R, Slotboom AJ, de Haas GH, Kaptein R
Two-dimensional NMR studies were performed on the complexes of porcine pancreatic phospholipase A2, bound to a...
nmrlearner
Journal club
0
08-21-2010 11:45 PM
[NMR paper] Structural characterization of the interactions of optimized product inhibitors with
Structural characterization of the interactions of optimized product inhibitors with the N-terminal proteinase domain of the hepatitis C virus (HCV) NS3 protein by NMR and modelling studies.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Structural characterization of the interactions of optimized product inhibitors with the N-terminal proteinase domain of the hepatitis C virus (HCV) NS3 protein by NMR and modelling studies.
J Mol Biol. 1999 Jun 4;289(2):385-96
Authors: Cicero...