Antiviral efficacy of honey bee antimicrobial peptides against SARS-CoV-2.

IF 3.8 2区化学 Q2 CHEMISTRY, APPLIED

Molecular Diversity Pub Date : 2025-08-16 DOI:10.1007/s11030-025-11325-0

Roy Dinata, Piyush Baindara, Chettri Arati, Guruswami Gurusubramanian

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引用次数: 0

Abstract

The COVID-19 pandemic continues to pose severe health and economic challenges, exacerbated by emerging antiviral drug resistance. As of now, there are several vaccines and a few FDA-approved drugs available; however, due to the emergence of antiviral drug resistance still there is a need for novel strategies and antiviral drugs. This study investigates honey bee-derived antimicrobial peptides (BAMPs) as potential multi-target antiviral agents against SARS-CoV-2. A total of 82 BAMPs from eight bee species, classified into seven peptide classes, were screened for favorable pharmacokinetic and pharmacodynamic properties. Finally, seventeen BAMPs were selected, modeled, and validated for further structural studies. Molecular docking revealed strong binding affinities with key viral and host targets, surpassing several FDA-approved antivirals. These interactions suggest BAMPs may inhibit viral entry, replication, and dissemination. Further, molecular dynamics simulation studies confirmed the stability, compactness, and flexibility of the docked complexes. Overall, present study highlight BAMPs as promising candidates for SARS-CoV-2 therapeutics, while warranting further in vitro and in vivo validation.

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蜜蜂抗菌肽对SARS-CoV-2的抗病毒作用

COVID-19大流行继续构成严重的健康和经济挑战，新出现的抗病毒药物耐药性加剧了这一挑战。到目前为止，有几种疫苗和一些fda批准的药物可用；然而，由于抗病毒药物耐药性的出现，仍然需要新的策略和抗病毒药物。本研究探讨了蜜蜂来源的抗菌肽（BAMPs）作为潜在的多靶点抗病毒药物对抗SARS-CoV-2。从8种蜜蜂中筛选出共82个BAMPs，并将其分为7个肽类，以获得良好的药代动力学和药效学特性。最后，选取17个bamp进行建模和验证，以进行进一步的结构研究。分子对接显示了与关键病毒和宿主靶点的强结合亲和力，超过了几种fda批准的抗病毒药物。这些相互作用表明BAMPs可能抑制病毒的进入、复制和传播。此外，分子动力学模拟研究证实了对接配合物的稳定性、致密性和柔韧性。总的来说，目前的研究强调BAMPs是SARS-CoV-2治疗药物的有希望的候选者，同时需要进一步的体外和体内验证。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Molecular Diversity 化学-化学综合

CiteScore

7.30

自引率

7.90%

发文量

219

审稿时长

2.7 months

期刊介绍： Molecular Diversity is a new publication forum for the rapid publication of refereed papers dedicated to describing the development, application and theory of molecular diversity and combinatorial chemistry in basic and applied research and drug discovery. The journal publishes both short and full papers, perspectives, news and reviews dealing with all aspects of the generation of molecular diversity, application of diversity for screening against alternative targets of all types (biological, biophysical, technological), analysis of results obtained and their application in various scientific disciplines/approaches including: combinatorial chemistry and parallel synthesis; small molecule libraries; microwave synthesis; flow synthesis; fluorous synthesis; diversity oriented synthesis (DOS); nanoreactors; click chemistry; multiplex technologies; fragment- and ligand-based design; structure/function/SAR; computational chemistry and molecular design; chemoinformatics; screening techniques and screening interfaces; analytical and purification methods; robotics, automation and miniaturization; targeted libraries; display libraries; peptides and peptoids; proteins; oligonucleotides; carbohydrates; natural diversity; new methods of library formulation and deconvolution; directed evolution, origin of life and recombination; search techniques, landscapes, random chemistry and more;