Potential Benefits of In Silico Methods: A Promising Alternative in Natural Compound’s Drug Discovery and Repurposing for HBV Therapy DOI Creative Commons
Samuel Chima Ugbaja, Aganze Gloire-Aimé Mushebenge, Hezekiel M. Kumalo

и другие.

Pharmaceuticals, Год журнала: 2025, Номер 18(3), С. 419 - 419

Опубликована: Март 16, 2025

Hepatitis B virus (HBV) is an important global public health issue. The World Health Organization (WHO) 2024 Global Report estimated that the prevalence of people living with HBV infection 254 million, incidence 1.2 million new infections yearly. Previous studies have shown natural compounds antiviral inhibition potentials. In silico methods such as molecular docking, virtual screening, pharmacophore modeling, quantitative structure–activity relationship (QSAR), and dynamic simulations been successfully applied in identifying bioactive strong binding energies treatment targets. COVID-19 pandemic necessitated importance repurposing already approved drugs using methods. This study aimed at unveiling benefits techniques a potential alternative compounds’ drug discovery for therapy. Relevant articles from PubMed, Google Scholar, Web Science were retrieved analyzed. Furthermore, this comprehensively reviewed literature containing identified essential proteins. Notably, hesperidin, quercetin, kaempferol, myricetin, flavonoids hepatitis surface antigen (HBsAg). investigation reveals offer understanding mechanisms action, reveal previously overlooked viral targets (including PreS1 Domain HBsAg cccDNA (Covalently Closed Circular DNA) regulators, facilitate creation specific inhibitors. integration silico, vitro, vivo insights further highlight Moreover, combination compounds, approach, improves chances personalized precision medicine treatment. Therefore, we recommend strategies combine vivo, approaches to effective drugs.

Язык: Английский

Evaluation of the Potency of Repurposed Antiretrovirals in HBV Therapy: A Narrative Investigation of the Traditional Medicine Alternatives DOI Open Access
Samuel Chima Ugbaja,

Ata Thabo Mokoena,

Aganze Gloire-Aimé Mushebenge

и другие.

International Journal of Molecular Sciences, Год журнала: 2025, Номер 26(4), С. 1523 - 1523

Опубликована: Фев. 11, 2025

Hepatitis B is one of the killer communicable diseases, with a global estimation 1.1 million deaths resulting from liver diseases annually. The search for HBV therapeutics has resulted in repurposing existing antiretrovirals (ARVs) treatment, considering their shared common replication mechanisms. This review aimed at evaluating potencies some repurposed ARVs used analyzing mechanisms viral replications and HIV, investigating potentials traditional medicines as an alternative treatment patients. topical keywords drug repurposing, repositioning, antiretrovirals, hepatitis HBV, natural products, medicines, title, abstract were searched PubMed, Web Science, Google Scholar. advanced included five years, 2019-2024. result was filtered 377 to 110 relevant articles. evaluation reveals that CD4+ T cells are targeted by while targets its associated (cirrhosis hepatocellular carcinoma (HCC)). Furthermore, treatments available only prevent or slow down progression cirrhosis, reduce HCC incidence, can improve quality life increase expectancy; however, they not curative HBV. Traditional medicines/natural product extracts phytochemicals exert anti-HBV effects through different improved therapeutic when combined properly. investigation further consideration silico approach might streamline development but also contribute deeper understanding pathogenesis. Therefore, we recommend integration computational design methods medicine screening discovering new bioactive candidates.

Язык: Английский

Процитировано

1

Potential Benefits of In Silico Methods: A Promising Alternative in Natural Compound’s Drug Discovery and Repurposing for HBV Therapy DOI Creative Commons
Samuel Chima Ugbaja, Aganze Gloire-Aimé Mushebenge, Hezekiel M. Kumalo

и другие.

Pharmaceuticals, Год журнала: 2025, Номер 18(3), С. 419 - 419

Опубликована: Март 16, 2025

Hepatitis B virus (HBV) is an important global public health issue. The World Health Organization (WHO) 2024 Global Report estimated that the prevalence of people living with HBV infection 254 million, incidence 1.2 million new infections yearly. Previous studies have shown natural compounds antiviral inhibition potentials. In silico methods such as molecular docking, virtual screening, pharmacophore modeling, quantitative structure–activity relationship (QSAR), and dynamic simulations been successfully applied in identifying bioactive strong binding energies treatment targets. COVID-19 pandemic necessitated importance repurposing already approved drugs using methods. This study aimed at unveiling benefits techniques a potential alternative compounds’ drug discovery for therapy. Relevant articles from PubMed, Google Scholar, Web Science were retrieved analyzed. Furthermore, this comprehensively reviewed literature containing identified essential proteins. Notably, hesperidin, quercetin, kaempferol, myricetin, flavonoids hepatitis surface antigen (HBsAg). investigation reveals offer understanding mechanisms action, reveal previously overlooked viral targets (including PreS1 Domain HBsAg cccDNA (Covalently Closed Circular DNA) regulators, facilitate creation specific inhibitors. integration silico, vitro, vivo insights further highlight Moreover, combination compounds, approach, improves chances personalized precision medicine treatment. Therefore, we recommend strategies combine vivo, approaches to effective drugs.

Язык: Английский

Процитировано

0