Targeting Conserved Regions of the SARS-CoV-2 Polymerase (RdRp) with Kinase Inhibitors as an Effective New Tactic for Discovering Dual-Action "Antiviral─Antiinflammatory" Drugs against COVID-19

Computational Biology and Chemistry, Год журнала: 2025, Номер unknown, С. 108454 - 108454

Опубликована: Апрель 1, 2025

Язык: Английский

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The Isoquinoline Derivative "CYNOVID" as a Prospective Anti-SARS-CoV-2 Agent: An Expanded Investigative Computational Study

European Journal of Medicinal Chemistry Reports, Год журнала: 2024, Номер unknown, С. 100214 - 100214

Опубликована: Сен. 1, 2024

Язык: Английский

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Design, synthesis, and in-vitro/in-vivo pharmacodynamic studies of novel aza-fused heterocyclic compounds against herpes simplex virus type 1

Bioorganic Chemistry, Год журнала: 2025, Номер 162, С. 108589 - 108589

Опубликована: Май 18, 2025

Язык: Английский

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Structure-Based Design and In-Silico Evaluation of Computationally Proposed Curcumin Derivatives as Potential Inhibitors of the Coronaviral PLpro Enzymes

Pharmaceuticals, Год журнала: 2025, Номер 18(6), С. 798 - 798

Опубликована: Май 26, 2025

Background/Objectives: Highly pathogenic coronaviruses (CoVs), including SARS-CoV, MERS-CoV, and SARS-CoV-2, continue to pose a significant threat global public health. Therefore, this situation highlights the urgent need for effective broad-spectrum antiviral agents. Curcumin, naturally occurring polyphenol known its anti-inflammatory properties, faces limitations such as poor bioavailability rapid metabolic degradation, restricting practical therapeutic application. Methods: To address these limitations, study introduces novel design strategy aimed at 42 new curcumin derivatives with improved pharmacokinetic profiles, specifically targeting conserved coronavirus enzyme papain-like protease (PLpro). A comprehensive in silico evaluation was performed, ADMET (Absorption, Distribution, Metabolism, Elimination, Toxicity) analysis, molecular docking, dynamics (MD) simulations, Molecular Mechanics/Poisson-Boltzmann Surface Area (MM/PBSA) calculations. Results: Extensive toxicological assessments (ADMET analyses) identified 19 exhibiting optimal drug-like characteristics according Lipinski’s Rule of Five (Ro5). docking analyses demonstrated that possess significantly enhanced binding affinities PLpro enzymes from SARS-CoV-2 compared standard agents natural curcumin. Further validation through MD simulations MM/PBSA calculations confirmed structural stability robust interactions most promising within SARS-CoV active site. Conclusions: The results provide essential functional insights, reinforcing potential newly developed potent, against current future threats.

Язык: Английский

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Exploration of the anti-SARS-CoV-2 potential and expected mechanisms of small molecules from Antrodia cinnamomea by BT&D2 drug-targeting analysis

Bioorganic Chemistry, Год журнала: 2025, Номер unknown, С. 108646 - 108646

Опубликована: Июнь 1, 2025

Язык: Английский

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Sting Pathway Activation by Orally Administered Attenuated dsRNA Vaccine Virus for Therapy of Viral Diseases

Qeios, Год журнала: 2024, Номер unknown

Опубликована: Янв. 29, 2024

Even after the Coronavirus disease 2019 (COVID-19) pandemic, world's vaccine strategy is failing because vaccines are produced only an epidemic under way. This article argues that vaccination alone will not be sufficient to control COVID-19 or any other future pandemic (e.g., flu). Using non-pathogenic viruses unrelated ongoing infections could complement efforts. The attenuated dsRNA Infectious Bursal Disease Virus (IBDV), drug candidate of clinically validated orally administered viral superinfection therapy (SIT), close regulatory approval. IBDV signals innate Stimulator Interferon Genes (STING) pathway and has been proven safe effective against five different families viruses: hepatitis A, B, C (HAV, HBV, HCV), severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), herpes zoster (HZV). Here, a blueprint for registration proposed. Attenuated repurposed as it used safely during 60 years mass programs in poultry. can therefore faster, cheaper, with less risk, higher success rates than traditional development. With SIT, repeat US$12 trillion world just spent on avoided.

Язык: Английский

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Application and Development of Targeted Fishing Technology in Natural Product Screening - A Simple Minireview

Current Pharmaceutical Analysis, Год журнала: 2024, Номер 20(4), С. 231 - 240

Опубликована: Апрель 1, 2024

Background: The screening of active ingredients in traditional Chinese medicine is an important task the modernization medicine, and commonly used analytical means past were mainly to screen extracts through pharmacological experiments, but method has major defects. target fishing strategy provides a new idea for ingredients, it rapidly become hot research direction, there are many methods that need be summarized aggregated. Objective: It aims provide readers with understanding achievements, developments, dilemmas techniques over few years ideas subsequent research. Methods: Research articles recent using as entry point basis summarize types literature based on their principles characteristics discuss advantages disadvantages each method. Conclusion: This paper summarizes classification development such ultrafiltration, equilibrium dialysis, cell membrane chromatography, immobilization molecules describes these methods. applications summarized, problems solutions discussed.

Язык: Английский

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Simnotrelvir as a potential treatment for COVID-19

Expert Opinion on Pharmacotherapy, Год журнала: 2024, Номер 25(3), С. 233 - 237

Опубликована: Фев. 11, 2024

Introduction Simnotrelvir is a selective 3-chymotrypsin-like oral protease inhibitor with activity against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).

Язык: Английский

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Effectiveness of azvudine against severe outcomes among hospitalized COVID-19 patients in Xinjiang, China: a single-center, retrospective, matched cohort study

Expert Review of Anti-infective Therapy, Год журнала: 2024, Номер 22(7), С. 569 - 577

Опубликована: Июнь 1, 2024

Since the end of 2022, Azvudine was widely used to treat hospitalized coronavirus disease 2019 (COVID-19) patients in China. However, data on real-world effectiveness against severe outcomes and post-COVID-19-conditions (PCC) among infected by acute respiratory syndrome 2 (SARS-CoV-2) Omicron variants limited. This study evaluates COVID-19 during a SARS-CoV-2 BA.5 dominance period.

Язык: Английский

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Design, synthesis, and biological activity evaluation of dihydromyricetin derivatives against SARS-CoV-2-Omicron virus

Journal of Enzyme Inhibition and Medicinal Chemistry, Год журнала: 2024, Номер 39(1)

Опубликована: Авг. 29, 2024

An oxidising and substituting one-pot reaction strategy has been developed to synthesise dihydromyricetin derivatives with the aim of enhancing inhibitory activity against SARS-CoV-2. Different

Язык: Английский

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