Prediction of binding potential of natural leads against the prioritized drug targets of chikungunya and dengue viruses by computational screening

Keramagi, Ambika R.; Skariyachan, Sinosh

doi:10.1007/s13205-018-1303-2

Cited by 10 publications

(6 citation statements)

References 55 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Moreover, these flavonoids have also been reported as inhibitors of other single-stranded positive-sense RNA viruses. Apigenin, luteolin, kaempferol, and quercetin show inhibitory effects against the chikungunya virus (CHIK-V) [38,39,40]; apigenin, quercetin, and isorhamnetin show inhibitory effects against the hepatitis C virus (HCV) [41,42,43]; luteolin and quercetin show inhibitory effects against the dengue virus [39,44]; luteolin and kaempferol show inhibitory effects against the Japanese encephalitis virus (JEV) [45,46]; and isorhamnetin shows inhibitory effect against the Zika virus [47].…”

Section: Discussionmentioning

confidence: 99%

Antiviral Efficacy of Flavonoids against Enterovirus 71 Infection in Vitro and in Newborn Mice

Dai

et al. 2019

Viruses

View full text Add to dashboard Cite

Enterovirus 71 (EV71) infection is known to cause hand, foot, and mouth disease (HFMD), which is associated with neurological complications; however, there is currently no effective treatment for this infection. Flavonoids are a large group of naturally occurring compounds with multiple bioactivities, and the inhibitory effects of several flavonoids against EV71 have been studied in cell cultures; however, to date, there are no reported data on their effects in animal models. In this study, we confirmed the in vitro activities of eight flavonoids against EV71 infection, based on the inhibition of cytopathic effects. Moreover, these flavonoids were found to reduce viral genomic RNA replication and protein synthesis. We further demonstrated the protective efficacy of these flavonoids in newborn mice challenged with a lethal dose of EV71. Apigenin, luteolin, kaempferol, formononetin, and penduletin conferred survival protection of 88.89%, 91.67%, 88.89%, 75%, and 66.67%, respectively, from the lethal EV71 challenge. In addition, isorhamnetin provided the highest mice survival protection of 100% at a dose of 10 mg/kg. This study, to the best of our knowledge, is the first to evaluate the in vivo anti-EV7l activities of multiple flavonoids, and we accordingly identified flavonoids as potential leading compounds for anti-EV71 drug development.

show abstract

Section: Discussionmentioning

confidence: 99%

Antiviral Efficacy of Flavonoids against Enterovirus 71 Infection in Vitro and in Newborn Mice

Dai

et al. 2019

Viruses

View full text Add to dashboard Cite

show abstract

“…Molecules 2020, 25, x 10 of 14 TA1535_10RLI/TA1535_NA tests on Salmonella typhimurium bacterial strain [67] and mouse [68] carcinogenicity, and Daphnia fish [69] toxicity were carried out.…”

Section: Discussionmentioning

confidence: 99%

“…Toxicology studies were carried out using online implementation [65] of the PreADMET program [66]. From among available statistical models, Ames TA100_10RLI/TA100_NA/TA1535_10RLI/ TA1535_NA tests on Salmonella typhimurium bacterial strain [67] and mouse [68] carcinogenicity, and Daphnia fish [69] toxicity were carried out.…”

Section: Admetmentioning

confidence: 99%

Docking and QSAR of Aminothioureas at the SARS-CoV-2 S-Protein–Human ACE2 Receptor Interface

Płonka

Paneth

2020

Molecules

View full text Add to dashboard Cite

Docking of over 160 aminothiourea derivatives at the SARS-CoV-2 S-protein–human ACE2 receptor interface, whose structure became available recently, has been evaluated for its complex stabilizing potency and subsequently subjected to quantitative structure–activity relationship (QSAR) analysis. The structural variety of the studied compounds, that include 3 different forms of the N–N–C(S)–N skeleton and combinations of 13 different substituents alongside the extensive length of the interface, resulted in the failure of the QSAR analysis, since different molecules were binding to different parts of the interface. Subsequently, absorption, distribution, metabolism, and excretion (ADME) analysis on all studied compounds, followed by a toxicity analysis using statistical models for selected compounds, was carried out to evaluate their potential use as lead compounds for drug design. Combined, these studies highlighted two molecules among the studied compounds, i.e., 5-(pyrrol-2-yl)-2-(2-methoxyphenylamino)-1,3,4-thiadiazole and 1-(cyclopentanoyl)-4-(3-iodophenyl)-thiosemicarbazide, as the best candidates for the development of future drugs.

show abstract

“…Most arboviruses that cause human diseases belong to the Bunyaviridae, Reoviridae, Flaviviridae, and Togaviridae families. The last two classes were the most cited in the articles included in this study [26,31,33], especially: the four serotypes of the dengue virus (DENV1, DENV2, DENV3 and DENV4), the Zika virus (ZIKV), (these two members of the family Flaviviridae (genus Flavivirus)) and Chikungunya virus (CHIKV), (member of the Togaviridae (genus Alphavirus) family)The particular interest in the discovery of the phenolic compounds with the antiviral action for these viruses is mainly due to the imminent risk of epidemics, the absence of effective vaccines, and their potential neurological complications which are causes of hospitalization and death by arboviruses [89,91,94,95].…”

Section: Anti-arbovirus Activitiesmentioning

confidence: 99%

“…The in silico screening performed by Keramagi and Skariyachan (2018) [31] pointed out to a series of natural compounds present in medicinal plants, including kaempferol, chymopain, and gossypetin. The study described that the flavonoids had a good binding potential against the CHIKV and DENV targets.…”

Section: Anti-chikungunya Virus (Chikv) Activitiesmentioning

confidence: 99%

Pharmacological Potential of Flavonoids against Neurotropic Viruses

et al. 2022

View full text Add to dashboard Cite

Flavonoids are a group of natural compounds that have been described in the literature as having anti-inflammatory, antioxidant, and neuroprotective compounds. Although they are considered versatile molecules, little has been discussed about their antiviral activities for neurotropic viruses. Hence, the present study aimed to investigate the pharmacological potential of flavonoids in the face of viruses that can affect the central nervous system (CNS). We carried out research from 2011 to 2021 using the Pubmed platform. The following were excluded: articles not in the English language, letters to editors, review articles and papers that did not include any experimental or clinical tests, and papers that showed antiviral activities against viruses that do not infect human beings. The inclusion criteria were in silico predictions and preclinical pharmacological studies, in vitro, in vivo and ex vivo, and clinical studies with flavonoids, flavonoid fractions and extracts that were active against neurotropic viruses. The search resulted in 205 articles that were sorted per virus type and discussed, considering the most cited antiviral activities. Our investigation shows the latest relevant data about flavonoids that have presented a wide range of actions against viruses that affect the CNS, mainly influenza, hepatitis C and others, such as the coronavirus, enterovirus, and arbovirus. Considering that these molecules present well-known anti-inflammatory and neuroprotective activities, using flavonoids that have demonstrated both neuroprotective and antiviral effects could be viewed as an alternative for therapy in the course of CNS infections.

show abstract

Prediction of binding potential of natural leads against the prioritized drug targets of chikungunya and dengue viruses by computational screening

Cited by 10 publications

References 55 publications

Antiviral Efficacy of Flavonoids against Enterovirus 71 Infection in Vitro and in Newborn Mice

Antiviral Efficacy of Flavonoids against Enterovirus 71 Infection in Vitro and in Newborn Mice

Docking and QSAR of Aminothioureas at the SARS-CoV-2 S-Protein–Human ACE2 Receptor Interface

Pharmacological Potential of Flavonoids against Neurotropic Viruses

Contact Info

Product

Resources

About