Department of Molecular Medicine, Faculty of Medicine, Universiti Malaya, Kuala Lumpur, Malaysia.
Department of Chemistry, Faculty of Resources Science, Universiti Malaysia Sarawak, Sarawak, Malaysia.
PLoS One. 2022 Jul 12;17(7):e0270970. doi: 10.1371/journal.pone.0270970. eCollection 2022.
There is an increasing demand in developing new, effective, and affordable anti-cancer against colon and rectal. In this study, our aim is to identify the potential anthraquinone compounds from the root bark of Morinda citrifolia to be tested in vitro against colorectal cancer cell lines. Eight potential anthraquinone compounds were successfully isolated, purified and tested for both in-silico and in-vitro analyses. Based on the in-silico prediction, two anthraquinones, morindone and rubiadin, exhibit a comparable binding affinity towards multitargets of β-catenin, MDM2-p53 and KRAS. Subsequently, we constructed a 2D interaction analysis based on the above results and it suggests that the predicted anthraquinones from Morinda citrifolia offer an attractive starting point for potential antiproliferative agents against colorectal cancer. In vitro analyses further indicated that morindone and damnacanthal have significant cytotoxicity effect and selectivity activity against colorectal cancer cell lines.
人们对开发新的、有效且经济实惠的结肠癌和直肠癌治疗方法的需求日益增长。在这项研究中,我们的目的是从巴戟天的根皮中鉴定出潜在的蒽醌类化合物,并在体外测试其对结直肠癌细胞系的作用。成功分离、纯化了 8 种潜在的蒽醌类化合物,并对其进行了计算机模拟和体外分析。根据计算机模拟预测,两种蒽醌类化合物——morindone 和 rubiadin——对 β-catenin、MDM2-p53 和 KRAS 的多个靶点具有相当的结合亲和力。随后,我们根据上述结果构建了一个 2D 相互作用分析,表明巴戟天中的预测蒽醌类化合物为开发针对结直肠癌的潜在抗增殖剂提供了一个有吸引力的起点。体外分析进一步表明,morindone 和 damnacanthal 对结直肠癌细胞系具有显著的细胞毒性作用和选择性活性。