2019
DOI: 10.1002/slct.201901119
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Pyrrolothiazolones as Potential Inhibitors for the nsP2B‐nsP3 Protease of Dengue Virus and Their Mechanism of Synthesis

Abstract: Dengue fever is a severe disease in the present time. Based on literature, there is no effective approved medicine available in the market for the treatment of dengue fever. This fever is spreading rapidly and there is an urgency to find the potential and cost‐effective antiviral compounds for the development of medicine to cure the patients from dengue fever. Different computational and experimental approaches have been tried to find the potential inhibitors for the nsP2B‐nsP3 protease of dengue virus. In the… Show more

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Cited by 21 publications
(12 citation statements)
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“…In silico methods are being explored by the researchers due to the efficiency and strategic approach. Computational tools are used to create a library and filtering them to get the biological potent compound against a receptor [ 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 ]. In this work, authors have designed a multi-component reaction (MCR) to produce pyrazolophthalazine via the one pot reaction between benzaldehyde, 2,3-dihydrophthalazine-1,4-dione and oxazolidine-2,4-dione (OZD) and its feasibility was studied through DFT method using Gaussian 09.…”
Section: Introductionmentioning
confidence: 99%
“…In silico methods are being explored by the researchers due to the efficiency and strategic approach. Computational tools are used to create a library and filtering them to get the biological potent compound against a receptor [ 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 ]. In this work, authors have designed a multi-component reaction (MCR) to produce pyrazolophthalazine via the one pot reaction between benzaldehyde, 2,3-dihydrophthalazine-1,4-dione and oxazolidine-2,4-dione (OZD) and its feasibility was studied through DFT method using Gaussian 09.…”
Section: Introductionmentioning
confidence: 99%
“… [2] , [3] , [4] , [5] , [6] , [9] , [12] , [13] , [14] , [15] , [16] , [17] , [19] , [20] , [22] , [24] , [28] , [29] , [30] , [31] , [32] , [35] , [37] , [38] , [39] , [40] , [41] , [42] , [45] , [47] .…”
Section: Uncited Referencesunclassified
“…binding energy. (Kumari, Singh et al 2017;Vishvakarma, Patel et al 2017;Vishvakarma, Singh et al 2017;Kumar, Singh et al 2019;Vishvakarma, Shukla et al 2019;Vishvakarma, Singh et al 2019;Vishvakarma, Kumari et al 2020) This binding energy is due to contribution by the hydrogen bonding, van der Waal's and electrostatic interaction between the amino-acids of the receptor and the small molecules. (Hsu, Chen et al 2011) The visualization of the interaction was studied using Discovery Studio Visualizer.…”
Section: Molecular Dockingmentioning
confidence: 99%