基于网络药理学和分子对接的罂粟碱抗乳腺癌的潜在作用研究基于网络药理学和分子对接的抗乳腺癌潜在作用

Q2 Pharmacology, Toxicology and Pharmaceutics

International Journal of Applied Pharmaceutics Pub Date : 2024-01-07 DOI:10.22159/ijap.2024v16i1.49171

Adrian, Muhammad Fauzan Lubis, R. A. Syahputra, Ririn Astyka, S. Sumaiyah, Muhammad Andika, Yudha Harahap, Zahratul Aini, Muhammad Fauzan Lubis

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引用次数: 0

摘要

目的证明罂粟碱作为抗乳腺癌药物的疗效和益处：本研究采用网络药理学和分子对接相结合的方法，对琥珀酰琥珀碱、去琥珀酰琥珀碱和玫瑰红琥珀碱抗乳腺癌的药理作用和潜在作用机制进行了研究：结果：发现了 55 个化合物抗乳腺癌的潜在靶点。表皮生长因子受体（EGFR）、丝裂原活化蛋白激酶8（MAPK8）、Janus激酶2（JAK2）、核因子Kappa B激酶亚基β抑制剂（IKBKB）和蛋白激酶C Epsilon（PRKCE）被确定为抗乳腺癌化合物的前五大靶点。分子对接表明，这些化合物能自发地与筛选出的前 4 个靶向蛋白结合：本研究表明，这些化合物通过多靶点、多途径的方式对乳腺癌具有药理作用。

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THE POTENTIAL EFFECT OF APORPHINE ALKALOIDS FROM NELUMBO NUCIFERA GAERTN. AS ANTI-BREAST CANCER BASED ON NETWORK PHARMACOLOGY AND MOLECULAR DOCKING

Objective: To demonstrate the efficacy and benefits of aporphine alkaloids from Nelumbo nucifera Gaertn. as anti-breast cancer agents. Methods: In this study, a combination of network pharmacology and molecular docking was used to investigate the pharmacological actions and underlying mechanisms of action of nuciferine, nor-nuciferine, and roemerine against breast cancer. Results: Fifty-five potential targets of compounds against breast cancer were identified. The Epidermal Growth Factor Receptor (EGFR), Mitogen-Activated Protein Kinase 8 (MAPK8), Janus Kinase 2 (JAK2), Inhibitor of Nuclear Factor Kappa B Kinase Subunit Beta (IKBKB), and Protein Kinase C Epsilon (PRKCE) were identified as the top five targets of compounds against breast cancer. Molecular docking demonstrated that these compounds could bind spontaneously to the screened top 4 targeted proteins. Conclusion: The present study demonstrates that these compounds have pharmacological effects against breast cancer via a multi-target and multi-pathway manner.

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来源期刊

International Journal of Applied Pharmaceutics Pharmacology, Toxicology and Pharmaceutics-Pharmacology, Toxicology and Pharmaceutics (miscellaneous)

CiteScore

1.40

自引率

0.00%

发文量

219

期刊介绍： International Journal of Applied Pharmaceutics (Int J App Pharm) is a peer-reviewed, bimonthly (onward March 2017) open access journal devoted to the excellence and research in the pure pharmaceutics. This Journal publishes original research work that contributes significantly to further the scientific knowledge in conventional dosage forms, formulation development and characterization, controlled and novel drug delivery, biopharmaceutics, pharmacokinetics, molecular drug design, polymer-based drug delivery, nanotechnology, nanocarrier based drug delivery, novel routes and modes of delivery; responsive delivery systems, prodrug design, development and characterization of the targeted drug delivery systems, ligand carrier interactions etc. However, the other areas which are related to the pharmaceutics are also entertained includes physical pharmacy and API (active pharmaceutical ingredients) analysis. The Journal publishes original research work either as a Original Article or as a Short Communication. Review Articles on a current topic in the said fields are also considered for publication in the Journal.