流感病毒的计算分析

R. Chavan, S. Bapat, V. Patil, A. Chowdhary, A. Kale
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摘要

流感病毒是造成影响全世界数百万人的呼吸道疾病的主要人类病原体,其特点是高发病率和高死亡率。流感感染可通过接种疫苗和使用抗病毒药物加以控制。然而,疫苗需要每年更新,并且提供有限的保护。此外,目前可用的药物受到迅速和广泛出现的耐药性的影响。所有这些都突出表明迫切需要开发具有新的作用机制和降低耐药潜力的新的抗病毒策略。最近在了解流感病毒复制方面的进展已经发现了一些细胞药物靶点,这些靶点可以抵消病毒的耐药性。随着生物信息学在计算建模和分子动力学刺激方面的知识的扩展,源于草药/阿育吠陀的新型小分子抑制剂由于其无毒和可负担性正在被探索。利用计算机技术研究了流感蛋白的结构细节和信息,以确定潜在的抑制药物。此外,我们还讨论了针对流感主要蛋白/靶点进行的各种计算研究,这些研究可能为开发一类新的抗病毒(阿育吠陀)药物提供新的线索。在未来的几年里,流感治疗将经历重大变化,随着新方法的临床验证,我们对发病机理的认识将不断提高。
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Computational analysis in Influenza virus
Influenza viruses are major human pathogens accountable for respiratory diseases affecting millions of people worldwide and characterized by high morbidity and significant mortality. Influenza infections can be controlled by vaccination and antiviral drugs. However, vaccines need yearly updating and give limited protection. In addition, the currently available drugs suffer from the rapid and extensive emergence of drug resistance. All this highlights the urgent need for developing new antiviral strategies with novel mechanisms of action and with reduced drug resistance potential. Recent advances in the understanding of Influenza virus replication have discovered a number of cellular drug targets that counteract viral drug resistance. With expanded bioinformatics’ knowledge on computational modeling and molecular dynamic stimulations, novel small molecule inhibitors of herbal/ayurvedic origin are being explored due to their non-toxicity and affordability. Using in-silico techniques the structural details and information of influenza protein have been studied to identify the potential drugs for inhibition. Further, we have discussed the various computational studies carried out on major protein/targets of Influenza which could provide new clues for a newer class of antiviral (ayurvedic) drugs. In the years to come ahead, the influenza treatment will go through major changes, with advancing our knowledge of pathogenesis as new methods becoming clinically validated.
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