Withana Thiwanga N, Perera Dinum, Fernando Tharani D
Department of Bioprocess Technology, Faculty of Technology, Rajarata University of Sri Lanka, Mihintale 50300, Sri Lanka.
Curr Issues Mol Biol. 2025 Jun 27;47(7):495. doi: 10.3390/cimb47070495.
Cancer remains a major global public health concern, driving the need for innovative therapeutic agents with intensified efficacy and safety. Growth factor receptors (GFRs), often overexpressed in cancer cells and critical in regulating cell proliferation, survival, and tumor progression, represent key targets for cancer therapy. Halophytic plants like spp. are known for their diverse bioactive compounds with notable pharmacological properties. This study comprehensively evaluated the anti-cancer potentials of phytochemicals derived from and using molecular docking and ADME-Tox (absorption, distribution, metabolism, excretion, and toxicity) profiling. A total of 37 bioactive compounds from spp. were screened against HER1, HER2, and HER4 receptors. Among them, 3,5-di-O-caffeoylquinic acid, 3-O-caffeoylquinic acid, myricetin, quercetin, stigmasterol, kaempferol, isorhamnetin, rhamnetin, and hesperitin featured strong predicted binding affinities to the HER1, HER2, and HER4 growth factor receptors, comparable to those of standard anti-cancer drugs such as gefitinib and dovitinib. Further pharmacokinetic assessments, including bioavailability and toxicity analyses, identified compounds with favorable drug-likeness properties and minimal toxicity risks, except for myricetin and quercetin. These findings underscore the potential of -derived phytochemicals as promising candidates for the development of safe, novel, and effective anti-cancer agents targeting GFRs, contributing to the advances in precision oncology, pending further validation through in vitro and/or in vivo experiments.
癌症仍然是全球主要的公共卫生问题，这推动了对具有更高疗效和安全性的创新治疗药物的需求。生长因子受体（GFRs）在癌细胞中经常过度表达，对调节细胞增殖、存活和肿瘤进展至关重要，是癌症治疗的关键靶点。像盐生植物等物种以其具有显著药理特性的多种生物活性化合物而闻名。本研究使用分子对接和ADME-Tox（吸收、分布、代谢、排泄和毒性）分析，全面评估了从盐生植物中提取的植物化学物质的抗癌潜力。对盐生植物中的37种生物活性化合物针对HER1、HER2和HER4受体进行了筛选。其中，3,5-二-O-咖啡酰奎尼酸、3-O-咖啡酰奎尼酸、杨梅素、槲皮素、豆甾醇、山奈酚、异鼠李素、鼠李素和橙皮苷对HER1、HER2和HER4生长因子受体具有很强的预测结合亲和力，与吉非替尼和多韦替尼等标准抗癌药物相当。进一步的药代动力学评估，包括生物利用度和毒性分析，确定了除杨梅素和槲皮素外具有良好类药性质且毒性风险最小的化合物。这些发现强调了盐生植物衍生的植物化学物质作为开发靶向GFRs的安全、新型和有效抗癌药物的有前途候选物的潜力，这有助于精准肿瘤学的进展，有待通过体外和/或体内实验进一步验证。
