Cơ chế phân tử của hợp chất aspirin giảm loãng xương sử dụng dược lý mạng và gắn kết phân tử

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Tác giả: Minh Quang Nguyễn, Văn Tất Phạm

Ngôn ngữ: vie

Ký hiệu phân loại:

Thông tin xuất bản: Tạp chí Khoa học và Công nghệ - Trường Đại học Bình Dương, 2023

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ID: 345986

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Hợp chất aspirin (AC) thường được tìm thấy có nhiều hoạt tính dược lý. Nghiêncứu này nhằm mục đích làm rõ cơ chế cơ bản của hoạt động chống loãng xương (OP) củaAC bằng cách sử dụng dược lý mạng và phương pháp gắn kết phân tử. Đầu tiên, các mụctiêu AC được xác định bằng cách sử dụng cơ sở các dữ liệu GeneCards và thứ hai, các mụctiêu liên quan đến OP được khai thác bằng cách sử dụng kết hợp các cơ sở dữ liệuGeneCards và DisGeNet. Các mục tiêu trong vùng giao nhau của cơ sở dữ liệu Genecards, AC và OP được coi là mục tiêu ứng viên và được sử dụng để tính toán tương tác proteinprotein giữa các mục tiêu. Chúng tôi đã phát hiện ra mục tiêu C4A trong vùng giao nhaucủa cơ sở dữ liệu Genecards, AC và OP. Điều này rất hữu ích cho gắn kết phân tử. Ngoàira, chúng tôi đã thu được 11 mục tiêu tiềm năng bổ sung có thể được sử dụng để gắn phântử AC vào các mục tiêu này. Tại vùng giao nhau của nhóm mục tiêu AC và OP là 6 genmục tiêu HLA-DQA1, HLA-DQB1, RPL31, SATB2, SP1 và WNT1. Tại khu vực giaonhau của hai cơ sở dữ liệu GeneCards và OP, chúng tôi đã phát hiện ra 4 gen mục tiêuchống OP là CTSK, PDIA2, RARG và TBC1D8. Chúng là những mục tiêu quan trọngtương tác với các mục tiêu protein khác. Theo mạng lưới tương tác protein-protein, C4Acho thấy khả năng liên kết cao nhất với các protein khác. Phân tích bản thể gen (GO) đượcthực hiện trong công trình này đã tìm thấy 10 quá trình sinh học, 10 thành phần tế bào, 9hoạt tính phân tử và 13 con đường sinh học. Hơn nữa, C4A và 10 mục tiêu ứng viên đượcgắn kết với các gen tương đồng chủ yếu liên quan đến các lộ trình truyền tín hiệu KEGG.Phân tử AC được phát hiện là có liên kết cao với 11 ứng viên mục tiêu. Nghiên cứu này đãxác định được các mục tiêu ứng viên gắn kết AC để giảm bớt OP bằng cách sử dụng cáctương tác protein-protein và các lộ trình truyền tín hiệu liên quan của các mục tiêu gắn kết.Điều này có thể giúp chúng ta hiểu được cơ chế hoạt động của AC trong quá trình điều trịOP.The aspirin compound (AC) is commonly found to have a wide range ofpharmacological activities. This study aimed to investigate the underlying mechanism ofthe anti-osteoporotic (anti-OP) activity of AC using network pharmacology and moleculardocking approaches. First, AC targets were identified using the GeneCards database, andsecond, OP-related targets were mined using a combination of the GeneCards andDisGeNet databases. The intersection targets from the Genecards, AC, and OP databaseswere considered candidate targets and were utilized to calculate protein-protein interactionsbetween targets. We discovered a C4A intersection target in the Genecards, AC, and OPdatabases. This is useful for molecular binding. In addition, we obtained 11 additionalprospective targets that may be used to attach the AC molecule to these targets. At theintersection region of the AC and OP target groups are the target genes HLA-DQA1, HLADQB1, RPL31, SATB2, SP1, and WNT1. And at the intersection region of the GeneCardsand OP databases, we discovered the anti-OP target genes CTSK, PDIA2, RARG, andTBC1D8. They are crucial binding targets that interact with other protein targets.According to the protein-protein interaction network, C4A showed the highest bindingcapacity with other proteins. The gene ontology (GO) analysis performed in this workfound the 10 biological processes, 10 cellular components, 9 molecular activities, and 13biological pathways. Furthermore, C4A and 10 candidate targets are associated withhomologous genes mainly involved in the signaling pathways of the Kyoto Encyclopediaof Genomics and Genomics (KEGG). The AC molecule was found to be highly bound to11 target candidates. This study identified candidate targets for AC to alleviate OP usingthe search for protein-protein interactions and the associated signaling pathways of thetargets to endorse AC against OP. This may help us understand the mechanism of action ofAC during OP treatment.

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