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靶向人类免疫缺陷病毒衣壳糖蛋白的11种蛇毒肽作为抑制剂的分子对接

Molecular docking of eleven snake venom peptides targeting human immunodeficiency virus capsid glycoprotein as inhibitors.

作者信息

Germoush Mousa O, Fouda Maged, Mantargi Mohammad J S, Sarhan Moustafa, Alrashdi Barakat M, Massoud Diaa, Alzwain Sarah, Ghaboura Nehmat, Altyar Ahmed E, Abdel-Daim Mohamed M

机构信息

Biology Department, College of Science, Jouf University, Sakaka, Saudi Arabia.

Department of Pharmaceutical Sciences, Pharmacy Program, Batterjee Medical College, Jeddah, Saudi Arabia.

出版信息

Open Vet J. 2024 Nov;14(11):2936-2949. doi: 10.5455/OVJ.2024.v14.i11.22. Epub 2024 Nov 30.

DOI:10.5455/OVJ.2024.v14.i11.22
PMID:39737016
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11682769/
Abstract

BACKGROUND

Snake venoms are mainly composed of a mixture of proteins and peptides with antiviral activity against several viruses including HIV. Therefore, snake venoms represent a promising source for new antiviral drugs.

AIM

The study examines the toxin's capacity to disrupt the spike glycoprotein of HIV, the virus accountable for the HIV epidemic.

METHODS

The active protein structure of HIV and snake toxins was derived from the protein RCSB-PDB. The interactions between this toxin and the spike protein were evaluated using molecular docking software/interface such as "" and analyzers such as "" and "". The objective was to identify potential pharmacophores that could be used as a basis for future drug development.

RESULTS

The latest study findings uncover fascinating affinities and interaction patterns between snake poisons and the HIV spike glycoprotein. We analyzed the consequences of these interactions and their capacity to impair viral entry and infection.

CONCLUSION

This work highlights a prospective approach for the advancement of antiviral treatments, utilizing nature's collection of toxins as a basis for pharmacophore-based medication exploration against viral infections.

摘要

背景

蛇毒主要由蛋白质和肽的混合物组成，这些混合物对包括HIV在内的多种病毒具有抗病毒活性。因此，蛇毒是新型抗病毒药物的一个有前景的来源。

目的

本研究考察该毒素破坏HIV刺突糖蛋白的能力，HIV是导致艾滋病流行的病毒。

方法

HIV和蛇毒素的活性蛋白结构来自蛋白质RCSB-PDB。使用诸如“”等分子对接软件/界面以及诸如“”和“”等分析器评估该毒素与刺突蛋白之间的相互作用。目的是识别可作为未来药物开发基础的潜在药效基团。

结果

最新研究结果揭示了蛇毒与HIV刺突糖蛋白之间迷人的亲和力和相互作用模式。我们分析了这些相互作用的后果及其损害病毒进入和感染的能力。

结论

这项工作突出了一种推进抗病毒治疗的前瞻性方法，利用自然界的毒素库作为基于药效基团的抗病毒感染药物探索的基础。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/ebe43b872b07/OpenVetJ-14-2936-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/dc6b850c4c41/OpenVetJ-14-2936-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/35363c0b5edf/OpenVetJ-14-2936-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/782495982e68/OpenVetJ-14-2936-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/ef43c13203b9/OpenVetJ-14-2936-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/0562881c51fc/OpenVetJ-14-2936-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/268d8c6b8b2e/OpenVetJ-14-2936-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/4d430d2746e3/OpenVetJ-14-2936-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/5156b5a475fc/OpenVetJ-14-2936-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/8d692aef592e/OpenVetJ-14-2936-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/9d0dee0a5334/OpenVetJ-14-2936-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/ebe43b872b07/OpenVetJ-14-2936-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/dc6b850c4c41/OpenVetJ-14-2936-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/35363c0b5edf/OpenVetJ-14-2936-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/782495982e68/OpenVetJ-14-2936-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/ef43c13203b9/OpenVetJ-14-2936-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/0562881c51fc/OpenVetJ-14-2936-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/268d8c6b8b2e/OpenVetJ-14-2936-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/4d430d2746e3/OpenVetJ-14-2936-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/5156b5a475fc/OpenVetJ-14-2936-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/8d692aef592e/OpenVetJ-14-2936-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/9d0dee0a5334/OpenVetJ-14-2936-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e906/11682769/ebe43b872b07/OpenVetJ-14-2936-g011.jpg

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