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Computational and experimental binding mechanism ofDNA- drug interactions.

A new interesting article has been published in Curr Pharm Des. 2018 Nov 5. doi: 10.2174/1381612824666181106101448. [Epub ahead of print] and titled:

Computational and experimental binding mechanism ofDNA- drug interactions.

Authors of this article are:

Selvaraj C, Singh SK.

A summary of the article is shown below:

Nucleic acid are the key unit and predominant genetic material for interpreting the fundamental basis of genetic information in an organism and now it’s used for the evolution of a novel group of therapeutics. To identify the potential impact in the biological science, it receives high recognition in therapeutic applications.Due to their selective recognition of molecular targets and pathways, DNA significantly imparts tremendous specificity of action. With its high advantages in the assembly of device, interconnects and computational elements DNA has shown great potential fabrication and construction of nanostructures and devices. The interaction of low molecular weight small molecules with DNA is significant feature in pharmacology. Based on mode of binding mechanisms small molecules are categorized as intercalators and groove binders which has significant role in target-based drug development. The understanding mechanism of drug-DNA interaction plays a crucial part in the development of novel drug molecules with more effective and lesser side effects. This article is attempts to outline those interactions of drug-DNA with both experimental and computational advances, including ultraviolet (UV)-visible spectroscopy, fluorescent spectroscopy, circular dichroism, Nuclear magnetic resonance (NMR), molecular docking & dynamics and quantum mechanical applications.

Check out the article’s website on Pubmed for more information:

This article is a good source of information and a good way to become familiar with topics such as:

;DNA nanostructures;DNA-drug interaction;drugs;molecular docking;molecular dynamics;molecular modeling;quantum mechanics;spectroscopy


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