Netropsin binding to poly[d(IC)].poly[IC)] and poly[d(GC].poly[d(GC)]: a computer simulation.

F Gago; W G Richards

Home/Archive/PubMed

PubMed · 2156149

Netropsin binding to poly[d(IC)].poly[IC)] and poly[d(GC].poly[d(GC)]: a computer simulation.

F Gago·W G Richards

View original source ↗Export metadata ↓

Abstract

The thermodynamic cycle perturbation approach has been used to calculate the difference in the free energy of binding of netropsin to two different DNA molecules. In the computer simulations, all the inosine residues have been gradually 'mutated' into guanosine in a DNA dodecamer and in a complex of the same dodecamer with netropsin. The difference in binding free energy of about 4.3 kcal mol-1 agrees well with the experimentally determined value of 4.0 kcal mol-1. One structural determinant of the specificity seems to be the width of the minor groove in the two complexes.

Explore related subjects

Guanidines Hydrogen Bonding Molecular Structure Netropsin Nucleic Acid Conformation Polydeoxyribonucleotides Thermodynamics Journal Article Research Support, Non-U.S. Gov't

Keep this discovery

Explore connections, maps & timelines

BibTeX RIS

F Gago, W G Richards. 1990. Netropsin binding to poly[d(IC)].poly[IC)] and poly[d(GC].poly[d(GC)]: a computer simulation.. https://pubmed.ncbi.nlm.nih.gov/2156149/

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related citations

PubMed2006

N,N'-Diarylcyanoguanidines as antagonists of the CXCR2 and CXCR1 chemokine receptors.

A series of N-(2-hydroxy-3-sulfonamidobenzene)-N'-arylcyanoguanidines was prepared. In general, these compounds proved to be potent antagonists of CXCR2 while the selectivity versus CXCR1 ranged from non-selective to >200-fold.

Guanidines↗

PubMed2006

Inhibition of trypsin and urokinase by Cbz-amino(4-guanidinophenyl)methanephosphonate aromatic ester derivatives: the influence of the ester group on their biological activity.

The urokinase plasminogen activator is a trypsin-like serine protease, important in tumor development. Here, we report the synthesis and biochemical evaluation of selective and potent diaryl esters of phosphonic-type inhibitors for urokinase. We have found that the substituted phenyl ester ring has a strong influence on the inhibitory activity of these compounds. This led to the most potent phosphonic inhibitor for uPA synthesized to date.

Guanidines↗

PubMed2006

[Effects of nitrification inhibitors on nitrate content in soil and pakchoi and on pakchoi yield].

A field experiment was conducted on two soil types in the Changsha suburb of Hunan Province to study the effects of hydroquinone (HQ), dicyandiamide (DCD) and thiourea (TU) on the nitrate content in soil and pakchoi and on the yield of pakchoi. The results showed that all the test nitrification inhibitors could significantly decrease the nitrate content in soil and pakchoi during whole growth stage, among which, DCD had the best effect, but the effect was differed on different soil types. Nitrification inhibitors could increase pakchoi yield, DCD was also the best one, and the effect was significantly better on vegetable garden red soil than on vegetable garden alluvial soil. The nitrate content in soil and pakchoi was the highest about 40 days after pakchoi transplanting.

Guanidines↗