2017 international meeting of the Global Virus Network

Catton, Mike; Gray, Glenda; Griffin, Diane E.; Hasegawa, Hideki; Kent, Stephen J.; Mackenzie, Jason M.; McSweegan, Edward; Mercer, Natalia; Wang, Lin‐Fa

doi:10.1016/j.antiviral.2018.02.001

Cited by 4 publications

(4 citation statements)

References 46 publications

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“…The unavailability of a functional cure for CHB has led to WHO's implementation of the rst global strategy to eliminate HBV infection as a public health threat by 2030 [26]. The viral surface antigen determines both functional and complete cure by its secretion levels in the serum.…”

Section: Discussionmentioning

confidence: 99%

QSAR Modeling of a Ligand-based Pharmacophore Derived from Hepatitis B Virus Surface Antigen Inhibitors

Mohebbi¹,

Askari²,

Shaddel³

et al. 2021

Preprint

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Background: Functional cure for Hepatitis B virus (HBV) by inhibiting HBV surface antigen (HBsAg) is crucial. We aimed to develop a predictive quantitative structure-activity relationship (QSAR) model on a ligand-based pharmacophore (LBP) derived from already known HBsAg secretion inhibitors in the present study.Methods: A LBP model was developed using active HBsAg secretion inhibitors as both trainings- and test-sets using LigandScout v3.12 software. The best model with the highest score was used for high throughput screening (HTS) screening of a virtual library comprising 720,000 compounds. A QSAR model was developed by a stepwise multiple linear regression (MLR) on ~2700 descriptors with a confidence interval (CI) of 95%. The test set validated the QSAR model. The goodness of fit statistics evaluated the fitness of the model. A comparable R2 and adjusted R2 were considered as the lack of overfitting. Further RMSE and Q2 statistics were measured for testing the model on the validation set. Principal component analysis (PCA) was also evaluated to estimate the predictor variables' associations and impact on the model.Results: 34 active anti-HBsAg compounds were used to develop an LBP model. 9/34 of compounds with higher clustering pharmacophore-fit scores were tagged as the training set, and the rest of the inhibitors were used as the test set. The best model had a 0.8832 fit score. HTS resulted in 10 potential hit compounds with a fit score of 101.44±0.65. A QSAR model was developed with two response variables, including Yindex and GATS8m, with substantial variance information (p < 0.05). The model was well fitted (R2 = 0.9563, MSE = 0.0023). The model was not predictive on the test set (Q2 = 0.00, RMSE = 0.8153). The PCA results of two factors demonstrated a substantial variance data of both predictor variables. Conclusion: The present study showed a reliable pharmacophore modeling based on known active inhibitors of HBsAg and a well-fitted predictive QSAR model on the LBP. The model can be applied to the chemical libraries fitted to the LBP model, and the QSAR equation would estimate the biological activities of the hit compounds with 95.63% accuracy with only two Yindex and GATS8m descriptors.

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Section: Discussionmentioning

confidence: 99%

QSAR Modeling of a Ligand-based Pharmacophore Derived from Hepatitis B Virus Surface Antigen Inhibitors

Mohebbi¹,

Askari²,

Shaddel³

et al. 2021

Preprint

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“…For instance, the AIDS virus was originally carried by chimpanzees in west African rainforests but started infecting humans in the 1940s [ 40 ]. Similarly, Bats carry a high number of viruses without developing the disease due to their unique low-grade immune system [ 8 ]. However, the severe acute respiratory syndrome (SARS) coronavirus epidemic in 2003 probably began when humans encountered the bats.…”

Section: Role Of Anthropogenic Factors In Triggering Future Pandemicsmentioning

confidence: 99%

Factors responsible for the emergence of novel viruses: An emphasis on SARS-CoV-2

Mohapatra¹,

Menon²

2022

Current Opinion in Environmental Science & Health

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“…Furthermore, around 25% (15–40%) of those with chronic hepatitis B (CHB) if left untreated would develop cirrhosis, liver failure, or hepatocellular carcinoma (HCC). All these facts together with the lack of curative therapy against HBV were the cause of WHO implementation of the first global strategy to eliminate HBV infection as a public health threat by 2030 [ 13 ].…”

Section: Current Global Statusmentioning

confidence: 99%

Recent Advances in Understanding, Diagnosing, and Treating Hepatitis B Virus Infection

Rybicka

Bielawski

2020

Microorganisms

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Chronic hepatitis B virus (HBV) infection affects 292 million people worldwide and is associated with a broad range of clinical manifestations including cirrhosis, liver failure, and hepatocellular carcinoma (HCC). Despite the availability of an effective vaccine HBV still causes nearly 900,000 deaths every year. Current treatment options keep HBV under control, but they do not offer a cure as they cannot completely clear HBV from infected hepatocytes. The recent development of reliable cell culture systems allowed for a better understanding of the host and viral mechanisms affecting HBV replication and persistence. Recent advances into the understanding of HBV biology, new potential diagnostic markers of hepatitis B infection, as well as novel antivirals targeting different steps in the HBV replication cycle are summarized in this review article.

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2017 international meeting of the Global Virus Network

Cited by 4 publications

References 46 publications

QSAR Modeling of a Ligand-based Pharmacophore Derived from Hepatitis B Virus Surface Antigen Inhibitors

QSAR Modeling of a Ligand-based Pharmacophore Derived from Hepatitis B Virus Surface Antigen Inhibitors

Factors responsible for the emergence of novel viruses: An emphasis on SARS-CoV-2

Recent Advances in Understanding, Diagnosing, and Treating Hepatitis B Virus Infection

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