Molecular Structure
Research News and Information

Saturday, November 21, 2009

Fragment-based discovery of BACE1 inhibitors using functional assays.

15 Nov 2009 Novel nonpeptidic inhibitors of beta-secretase (BACE1) have been discovered by employing a fragment-based biochemical screening approach. A diverse library of 20000 low-molecular weight compounds were screened and yielded 26 novel hits that were ... Read more...

Solution structure and functional characterization of human plasminogen kringle 5.

Nov 2009 The ligand binding properties of the kringle 5 (K5) domain of human plasminogen have been investigated via intrinsic tryptophan fluorescence. The oleic acid (OA) affinity for K5 was quantified, yielding an association constant K(a) approximately ... Read more...

The ATP-dependent amide ligases DdaG and DdaF assemble the fumaramoyl-dipeptide scaffold of the dapdiamide antibiotics.

Nov 2009 The enzymes DdaG and DdaF, encoded in the Pantoea agglomerans dapdiamide antibiotic biosynthetic gene cluster, when expressed in Escherichia coli, form the tandem amide bonds of the dapdiamide scaffold at the expense of ATP cleavage. DdaG uses ... Read more...

Latest indexed articles for 'Molecular Structure'

These are the very latest articles for this heading:

• Fragment-based discovery of BACE1 inhibitors using functional assays. 15 Nov 2009
• Solution structure and functional characterization of human plasminogen kringle 5. Nov 2009
• The ATP-dependent amide ligases DdaG and DdaF assemble the fumaramoyl-dipeptide scaffold of the dapdiamide antibiotics. Nov 2009
• The structure of G117H mutant of butyrylcholinesterase: nerve agents scavenger. 30 Oct 2009
• The capsid protein of human immunodeficiency virus: designing inhibitors of capsid assembly. 30 Oct 2009
• Comparison of quantitative structure-activity relationship model performances on carboquinone derivatives. 12 Oct 2009
• Identification and characterization of a small molecule inhibitor of Fatty Acid binding proteins. 6 Oct 2009
• Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase. 6 Oct 2009
• Fundamental relationships between structure, reactivity, and biological activity for the duocarmycins and CC-1065. 6 Oct 2009
• Differential effects of non-steroidal anti-inflammatory drugs on mitochondrial dysfunction during oxidative stress. 29 Sep 2009
• In vivo biotransformation of 3,3',4,4'-tetrachlorobiphenyl by whole plants-poplars and switchgrass. 29 Sep 2009
• Detection of organophosphate flame retardants in furniture foam and U.S. house dust. 29 Sep 2009
• Role of the siderophore azotobactin in the bacterial acquisition of nitrogenase metal cofactors. 29 Sep 2009
• Cellulose hydrolysis in evolving substrate morphologies I: A general modeling formalism. 29 Sep 2009
• Cellulose hydrolysis in evolving substrate morphologies II: Numerical results and analysis. 29 Sep 2009
• The SAAP force field: development of the single amino acid potentials for 20 proteinogenic amino acids and Monte Carlo molecular simulation for short peptides. 29 Sep 2009
• Application of MOLMAP approach for QSAR modeling of various biological activities using substituent electronic descriptors. 29 Sep 2009
• Specific DNA G-quadruplexes bind to ethanolamines. 29 Sep 2009
• Fluorescence of unmodified oligonucleotides: A tool to probe G-quadruplex DNA structure. 29 Sep 2009
• Proton transfer versus nontransfer in compounds of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with strong organic acids: the 5-sulfosalicylate and the dichroic benzenesulfonate salts, and the 1:2 adduct with 3,5-dinitrobenzoic acid. 28 Sep 2009

See a longer list of these articles.

Technical information about 'Molecular Structure'

Definition: The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type and location of covalent bonds.

Descriptor UI: D015394

Alternative terms: Molecular Structure; Structure, Molecular; Molecular Structures; Structures, Molecular;

Related Mesh Headings: Models, Molecular;

Tree Number: G02.111.570; G02.575; G02.842.575;

History Note: 89

Technical Notes: almost never IM; do not confuse with MOLECULAR CONFORMATION; AMINO ACID SEQUENCE; BASE SEQUENCE; and CARBOHYDRATE SEQUENCE are also available; protein architecture = PROTEIN CONFORMATION or its specifics; DF: MOL STRUCT