What is it about?

This study suggests DN58opt, a novel synthetic peptide, as one of the effective inhibitors of dengue virus (DENV) entry into target cells. This study is supported by the previously established role of E-glycoprotein in the DENV attachment to host cell receptors and target cells entry. By describing the binding mechanisms of the complexes to the target proteins and understanding important structural information, new compounds with potential anti-dengue therapeutic could be designed. Implementation of this study will bring changes in the treatment of diseases and has the ability to influence pharmaceutical companies, including researchers in the drug development field.

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Why is it important?

Local and global statistics reveal an alarming rise in annual dengue infection cases. Unfortunately, there is a lack of drugs and vaccines available in treating illnesses related to dengue infections. While existing treatment approach is symptomatic only and carries adverse side effects. Hence, continuous efforts should be engaged to address this problem, in particular, to develop drugs as therapeutics. This study also proves that computational tools expedite the early stage of the drug development process by leveraging on the information which is yet to be made available from lab experiments. The availability of big data of chemicals should be exploited for the benefit of humankind.


Computational drug discovery and design are gaining popularity among researchers and pharmaceutical companies due to its promising contribution in understanding molecular structures as well as biomedical applications. As the process of designing and discovering new therapeutics are on-going processes, new information gathered will eventually be translated into better solutions or treatments for various ailments. By doing so, this study aims to achieve the UN’s third Sustainable Development Goal by ensuring healthy lives and promoting well-being for all at all ages.

Rozana Othman
University of Malaya

Read the Original

This page is a summary of: Conformational and energy evaluations of novel peptides binding to dengue virus envelope protein, Journal of Molecular Graphics and Modelling, June 2017, Elsevier,
DOI: 10.1016/j.jmgm.2017.03.010.
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