Bioinformatics Analysis of Inhibition Activation SHP-2 by Galangal as Activating Agent of Cancer Immunotherapy

Maria Indra Ardriyanto, Faaza Aulia Rahman, Hanaan Emilia Adi Hastuti, E. Meiyanto, T. Kawai, Dyaningtyas Dewi Pamungkas Putri
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Abstract

Interleukin 12 (IL-12) is a pro-inflammatory cytokine type 1 that has acted as a potential immunotherapy for cancer. The mechanism of IL-12 increases the activity of cytotoxic T cells and Natural Killer (NK) cells, reverse tumor-induced immunosuppression, prevent angiogenesis, and increases lymphocyte and antigen transport. Galangal is one of the natural ingredients that have biological activity as an anticancer and immunomodulator. In this research, researchers wanted to know the potential of the active compound of galangal to activate IL-12 by inhibiting the IL-12 analog, namely SHP-2. This research uses bioinformatics studies using several databases such as RCSB PDB, ChEMBL, Dr. Duke's Phytochemical and Ethnobotanical, UALCAN, OncoLnc and computational analysis using KNIME and MOE software. The SHP-2 structure used is taken from the RCSB PDB with the code 5EHR. The 10 compounds with the highest predictions of inhibiting SHP2 using KNIME were obtained, then molecular docking was performed using MOE and three compounds that had the potential to inhibit SHP-2 were Kaempferide, Galangin, and RiboflavinKeywords: cancer, computing, galangal, Interleukin 12, SHP-2, pharmacology.
高良姜对肿瘤免疫治疗抑制激活SHP-2的生物信息学分析
白细胞介素12 (IL-12)是一种促炎细胞因子1型,已作为一种潜在的癌症免疫疗法。IL-12的作用机制是提高细胞毒性T细胞和NK细胞的活性,逆转肿瘤诱导的免疫抑制,阻止血管生成,增加淋巴细胞和抗原的转运。高良姜是具有抗癌和免疫调节剂生物活性的天然成分之一。在本研究中,研究人员想知道高良姜的活性化合物通过抑制IL-12类似物即SHP-2激活IL-12的潜力。本研究使用几个数据库进行生物信息学研究,如RCSB PDB, ChEMBL, Dr. Duke’s Phytochemical and Ethnobotanical, UALCAN, OncoLnc,并使用KNIME和MOE软件进行计算分析。使用的SHP-2结构取自RCSB PDB,代码为5EHR。利用KNIME获得10个抑制SHP-2的预测值最高的化合物,然后利用MOE进行分子对接,3个具有抑制SHP-2潜力的化合物是山奈哌、高良姜和核黄素。关键词:肿瘤,计算,高良姜,白细胞介素12,SHP-2,药理学。
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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