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

Antiviral Activity of Water–Alcoholic Extract of Cistus incanus L. DOI Open Access

Petya Angelova,

Anton Hinkov, V. V. GERASIMOVA

и другие.

International Journal of Molecular Sciences, Год журнала: 2025, Номер 26(3), С. 947 - 947

Опубликована: Янв. 23, 2025

Recently, previously known viruses have changed their pathogenicity and encompassed new types of host populations. An example such an infection is that caused by SARS-CoV, belonging to the “well-known” coronavirus family. Another group are great importance human population herpes viruses. Due increasing viral resistance existing antiviral drugs, plant extracts attracting interest due complex composition simultaneous attack different targets. Based on above, we tested potential water–alcoholic extract obtained from a commercial sample Cistus incanus L. against enveloped SvHA1, SvHA2 (ACV resistant) HCoV 229E. The results showed both complete inhibition intracellular stages replication strong effect extracellular virions in three models. In study SvHA 2, calculated selectivity index was over 10. From experiments virucidal effects two viruses, it found titer samples decreased about 4 lg compared control sample. for introduction into practice.

Язык: Английский

Процитировано

1

Phytomedical Properties of Carica papaya for Boosting Human Immunity Against Viral Infections DOI Creative Commons
Rashmi Srivastava, Neeshma Jaiswal, Harsha Kharkwal

и другие.

Viruses, Год журнала: 2025, Номер 17(2), С. 271 - 271

Опубликована: Фев. 16, 2025

Carica papaya, a tropical fruit-bearing plant, has attracted significant attention for its diverse phytomedical properties and ability to regulate both innate adaptive immunity, making it promising natural therapeutic agent. C. papaya is rich in bioactive compounds that play multifaceted role immunomodulation. These constituents have demonstrated efficacy not only against the dengue virus but also other viral infections, including COVID-19 (Corona Virus Disease 2019), Human Immunodeficiency (HIV), Zika virus, others. The antiviral effects of are achieved through enhance host mitigate inflammation, reduce oxidative stress, inhibit replication, modulate immune responses. mechanisms highlight potential as candidate therapies, paving way further exploration pharmacological applications promoting eco-friendly, accessible healthcare solutions combating diseases. This review highlights extracts inhibiting replication modulating responses, emphasizing need studies clinical trials validate their medically viruses causing human

Язык: Английский

Процитировано

0

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