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Journal ArticleDOI

Anti-dengue infectivity evaluation of bioflavonoid from Azadirachta indica by dengue virus serine protease inhibition.

TLDR
The antiviral assay showed dose dependent inhibition of DENV-2 infectivity by the selected compounds while maximum 77.7% and 66.2% viral inhibition were recorded for 100 µM kaempferol 3-O-β-rutinoside and 1000 ²M epicatechin, respectively without significant cell toxicity.
Abstract
Dengue virus (DENV) serine protease enzyme, i.e. NS2B-NS3pro (non-structural protein 2B-non-structural protein 3) has been approved as prime drug target for the drug discovery against dengue infect...

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Citations
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Journal ArticleDOI

Identification of an effective fraction from Ampelopsis radix with anti-dengue virus activities in vitro and in vivo.

TL;DR: Wang et al. as discussed by the authors explored the anti-DENV activities of the fraction (AR-1) obtained from Ampelopsis Radix both in vitro and in vivo, and the chemical composition of AR-1 was identified by liquid chromatography-tandem MS (LC‒MS/MS).
Journal ArticleDOI

Assessing the potential of NS2B/NS3 protease inhibitors biomarker in curbing dengue virus infections: In silico vs. In vitro approach

TL;DR: In this paper , the authors discuss recent strategies for searching for novel DENV NS2B/NS3 protease inhibitors from the in silico and in vitro perspectives, either by applying one of the approaches or by integrating both.
Journal ArticleDOI

Inhibitory Potential of Chromene Derivatives on Structural and Non-Structural Proteins of Dengue Virus

TL;DR: In this paper , the anti-dengue virus potential of various 4H chromene derivatives was analyzed and in silico, in vitro, and in vivo reports of these scaffolds against the dengue viruses are detailed in the present manuscript.
References
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Journal ArticleDOI

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

TL;DR: The authors assess various approximate forms for the correlation energy per particle of the spin-polarized homogeneous electron gas that have frequently been used in applications of the local spin density a...
Journal ArticleDOI

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin.

TL;DR: A complete set of intermolecular potential functions has been developed for use in computer simulations of proteins in their native environment and they have been parametrized directly to reproduce experimental thermodynamic and structural data on fluids.
Journal ArticleDOI

Dengue and Dengue Hemorrhagic Fever

TL;DR: A review of the changing epidemiology of dengue and hemorrhagic fever by geographic region, the natural history and transmission cycles, clinical diagnosis of both Dengue fever and DVF, serologic and virologic laboratory diagnoses, pathogenesis, surveillance, prevention, and control can be found in this paper.

Dengue and dengue hemorrhagic fever.

TL;DR: A major challenge for public health officials in all tropical areas of the world is to devleop and implement sustainable prevention and control programs that will reverse the trend of emergent dengue hemorrhagic fever.
Proceedings ArticleDOI

Scalable algorithms for molecular dynamics simulations on commodity clusters

TL;DR: This work presents several new algorithms and implementation techniques that significantly accelerate parallel MD simulations compared with current state-of-the-art codes, including a novel parallel decomposition method and message-passing techniques that reduce communication requirements, as well as novel communication primitives that further reduce communication time.
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