Journal ArticleDOI
Anti-dengue infectivity evaluation of bioflavonoid from Azadirachta indica by dengue virus serine protease inhibition.
Vivek Dhar Dwivedi,Shiv Bharadwaj,Sumbul Afroz,Nooruddin Khan,Mairaj Ahmed Ansari,Umesh Yadava,Ramesh Chandra Tripathi,I. P. Tripathi,Suman K Mishra,Sang Gu Kang +9 more
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...read more
Citations
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Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro.
Journal ArticleDOI
SARS-CoV-2 Mpro inhibitors: identification of anti-SARS-CoV-2 Mpro compounds from FDA approved drugs
Shiv Bharadwaj,Esam I. Azhar,Mohammad Amjad Kamal,Leena H. Bajrai,Amit Dubey,Kanupriya Jha,Umesh Yadava,Sang Gu Kang,Vivek Dhar Dwivedi +8 more
TL;DR: Comparison molecular simulation and interaction profiling of the screened drugs with SARS-CoV-2 Mpro revealed R428, Teniposide, and Setileuton with stronger stability and affinity than other drugs and N3 inhibitor; and hence, these drugs are advocated for further validation using in vitro enzyme inhibition and in vivo studies against Sars-Cov-2 infection.
Journal ArticleDOI
Medicinal Plants in COVID-19: Potential and Limitations
TL;DR: In this article, the authors present and discuss the findings of four selected medicinal plants (Nigella sativa, Vernonia amygdalina, Azadirachta indica, Eurycoma longifolia), with reported antiviral, anti-inflammatory, and immunomodulatory effects that might be interesting for further investigation.
Journal ArticleDOI
Structural basis for the inhibition of SARS-CoV2 main protease by Indian medicinal plant-derived antiviral compounds.
Konda Mani Saravanan,Haiping Zhang,Renganathan Senthil,Kevin Kumar Vijayakumar,Vignesh Sounderrajan,Yanjie Wei,Harshavardhan Shakila +6 more
TL;DR: It is insisted that the amentoflavone, hypericin and Torvoside H from the traditional Indian medicinal plants may be used as a potential inhibitor of SARS-CoV2 main protease and further biochemical experiments could shed light on understanding the mechanism of inhibition by these plant-derived antiviral compounds.
Journal ArticleDOI
Antiviral Role of Phenolic Compounds against Dengue Virus: A Review.
Vanessa Loaiza-Cano,Laura Milena Monsalve-Escudero,Carlos da Silva Maia Bezerra Filho,Marlen Martinez-Gutierrez,Damião Pergentino de Sousa +4 more
TL;DR: In this article, the antiviral role of phenolic compounds against dengue virus (DENV), the most widespread arbovirus globally that, after its re-emergence, has caused multiple epidemic outbreaks, especially in the last two years.
References
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Journal ArticleDOI
Novel anti-tubulin agents from plant and marine origins: insight from a molecular modeling and dynamics study
TL;DR: The molecular dynamics simulation of the best-docked poses for 50 ns demonstrates that molecules 7 and 10 exhibit better tendencies of binding with the microtubule and average RMSD analysis and dynamical pathway observations indicate that these molecules transit quickly to a dynamically stable configuration and seem to achieve a comfort zone by remaining stable throughout the dynamics.
Journal ArticleDOI
Identification of a C2-symmetric diol based human immunodeficiency virus protease inhibitor targeting Zika virus NS2B-NS3 protease.
Dario Akaberi,Praveen K. Chinthakindi,Amanda Båhlström,Navaneethan Palanisamy,Anja Sandström,Åke Lundkvist,Johan Lennerstrand +6 more
TL;DR: The identification of a C2‐symmetric diol‐based Human immunodeficiency virus type-1 (HIV) protease inhibitor active against ZIKV NS2B-NS3 protease is reported, finding it to be a less polar and more drug-like non-peptide hit compound useful for further optimization.
Journal ArticleDOI
Structure-Based Discovery of Anti-Viral Compounds for Hepatitis B & C, Human Immunodeficiency, and Dengue Viruses
Devadasan Velmurugan,Udhayasuriyan Malar Selvi,Udhayakumar Mythily,Kutumba Rao,Ramaiah Rajarajeshwari,Sangeetha +5 more
Journal ArticleDOI
Molecular dynamics simulation of hydrated d(CGGGTACCCG)4 as a four-way DNA Holliday junction and comparison with the crystallographic structure
Ramesh Kumar Yadav,Umesh Yadava +1 more
TL;DR: In this paper, a molecular dynamics simulation of decamer sequence (CGGGTACCCG)4 as a four-way Holliday junction is reported for 15.0 ns at three different temperatures 100, 200 and 300 K, respectively, using AMBER force field.
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