Recent advances in natural products as potential inhibitors of dengue virus with a special emphasis on NS2b/NS3 protease

Saqallah, Fadi G.; Abbas, Manal A.; Wahab, Habibah A.

doi:10.1016/j.phytochem.2022.113362

Cited by 13 publications

(7 citation statements)

References 112 publications

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“…13 C-RMN [500 MHz, CDCl3 + MeOD (9:1)]: δ (ppm) (carbon type, assignment) Figure 2. Phenolic compounds isolated from species belonging to the Asteraceae family: Euparin (8); jaceidin (9); nepetin (10); jaceosidin (11); eryodictiol (12); eupatorin (13); 5-demethylsinensetin (14).…”

Section: Pure Phytochemicals Isolated From Asteraceaementioning

confidence: 99%

“…Most of the natural compounds found in species of the Asteraceae family that have been reported to exhibit activity against DENV are phenolic compounds. Several flavonoids have demonstrated anti-viral activity against DENV in vitro, including quercetin, quercitrin, kaempferol-3-O-rutinoside, and epicatechin, among others [ 9 , 10 , 11 , 12 ]. Various flavonoids widely distributed in the Asteraceae family have demonstrated potential as inhibitors towards DENV proteases such as the NS2b/NS3pro complex in several in silico studies involving molecular docking, including quercetin, rutin, myricetin, luteolin, hesperidin, and others [ 9 ].…”

Section: Introductionmentioning

confidence: 99%

“…Several flavonoids have demonstrated anti-viral activity against DENV in vitro, including quercetin, quercitrin, kaempferol-3-O-rutinoside, and epicatechin, among others [ 9 , 10 , 11 , 12 ]. Various flavonoids widely distributed in the Asteraceae family have demonstrated potential as inhibitors towards DENV proteases such as the NS2b/NS3pro complex in several in silico studies involving molecular docking, including quercetin, rutin, myricetin, luteolin, hesperidin, and others [ 9 ]. However, in silico studies could not prove that these compounds could inhibit the virus as a whole.…”

Section: Introductionmentioning

confidence: 99%

“…On the other hand, limited research has been conducted on anti-DENV activity of terpenoids. Despite compounds like genudin, andrographolide, stachyonic acid A, ganodermanontriol, and lucidumol A having been demonstrated to be active against DENV both in vitro and in silico [ 9 , 13 ], studies related to the anti-DENV activity of sesquiterpene lactones have not been produced.…”

Section: Introductionmentioning

confidence: 99%

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Plant Extracts and Phytochemicals from the Asteraceae Family with Antiviral Properties

Borgo,

Wagner,

Laurella

et al. 2024

Molecules

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Asteraceae (Compositae), commonly known as the sunflower family, is one of the largest plant families in the world and includes several species with pharmacological properties. In the search for new antiviral candidates, an in vitro screening against dengue virus (DENV) was performed on a series of dichloromethane and methanolic extracts prepared from six Asteraceae species, including Acmella bellidioides, Campuloclinium macrocephalum, Grindelia pulchella, Grindelia chiloensis, Helenium radiatum, and Viguiera tuberosa, along with pure phytochemicals isolated from Asteraceae: mikanolide (1), eupatoriopicrin (2), eupahakonenin B (3), minimolide (4), estafietin (5), 2-oxo-8-deoxyligustrin (6), santhemoidin C (7), euparin (8), jaceidin (9), nepetin (10), jaceosidin (11), eryodictiol (12), eupatorin (13), and 5-demethylsinensetin (14). Results showed that the dichloromethane extracts of C. macrocephalum and H. radiatum and the methanolic extracts prepared from C. macrocephalum and G. pulchella were highly active and selective against DENV-2, affording EC50 values of 0.11, 0.15, 1.80, and 3.85 µg/mL, respectively, and SIs of 171.0, 18.8, >17.36, and 64.9, respectively. From the pool of phytochemicals tested, compounds 6, 7, and 8 stand out as the most active (EC50 = 3.7, 3.1, and 6.8 µM, respectively; SI = 5.9, 6.7, and >73.4, respectively). These results demonstrate that Asteraceae species and their chemical constituents represent valuable sources of new antiviral molecules.

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Section: Pure Phytochemicals Isolated From Asteraceaementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Plant Extracts and Phytochemicals from the Asteraceae Family with Antiviral Properties

Borgo,

Wagner,

Laurella

et al. 2024

Molecules

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“…Other studies focusing on phytocompounds as novel dengue protease inhibitors have also been reported isolated phytochemicals belonging to different groups including fatty acids, glucosides, terpenes and terpenoids, flavonoids, phenolics, chalcones, acetamides, and peptides. Curcumin, quercetin, and myricetin were found to act as noncompetitive inhibitors for the NS2b/NS3 protease enzyme (Saqallah et al, 2022). Though various in silico experiments have been performed to identify NS2b/NS3 inhibitors, most of these studies are molecular docking based, and studies based on QSAR are few.…”

Section: Introductionmentioning

confidence: 99%

Ligand-based pharmacophore modeling and QSAR approach to identify potential dengue protease inhibitors

Poola

Prabhu²,

Murthy³

et al. 2023

Front. Mol. Biosci.

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The viral disease dengue is transmitted by the Aedes mosquito and is commonly seen to occur in the tropical and subtropical regions of the world. It is a growing public health concern. To date, other than supportive treatments, there are no specific antiviral treatments to combat the infection. Therefore, finding potential compounds that have antiviral activity against the dengue virus is essential. The NS2B-NS3 dengue protease plays a vital role in the replication and viral assembly. If the functioning of this protease were to be obstructed then viral replication would be halted. As a result, this NS2B-NS3 proves to be a promising target in the process of anti-viral drug design. Through this study, we aim to provide suggestions for compounds that may serve as potent inhibitors of the dengue NS2B-NS3 protein. Here, a ligand-based pharmacophore model was generated and the ZINC database was screened through ZINCPharmer to identify molecules with similar features. 2D QSAR model was developed and validated using reported 4-Benzyloxy Phenyl Glycine derivatives and was utilized to predict the IC50 values of unknown compounds. Further, the study is extended to molecular docking to investigate interactions at the active pocket of the target protein. ZINC36596404 and ZINC22973642 showed a predicted pIC50 of 6.477 and 7.872, respectively. They also showed excellent binding with NS3 protease as is evident from their binding energy of −8.3and −8.1 kcal/mol, respectively. ADMET predictionsofcompounds have shown high drug-likeness. Finally, the molecular dynamic simulations integrated with MM-PBSA binding energy calculations confirmedboth identified ZINC compounds as potential hit moleculeswith good stability.

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Myricetin inhibits Micropterus salmoides rhabdovirus infection by damping inflammation through the NF-κB pathway

Wang,

Deng,

et al. 2023

Aquaculture and Fisheries

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Recent advances in natural products as potential inhibitors of dengue virus with a special emphasis on NS2b/NS3 protease

Cited by 13 publications

References 112 publications

Plant Extracts and Phytochemicals from the Asteraceae Family with Antiviral Properties

Plant Extracts and Phytochemicals from the Asteraceae Family with Antiviral Properties

Ligand-based pharmacophore modeling and QSAR approach to identify potential dengue protease inhibitors

Myricetin inhibits Micropterus salmoides rhabdovirus infection by damping inflammation through the NF-κB pathway

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