关键词: Formononetin Prostate Cancer RXR Receptors in silico molecular docking and molecular dynamics kaempferol luteolin

Mesh : Male Humans Prostatic Neoplasms / drug therapy metabolism pathology Molecular Docking Simulation Molecular Dynamics Simulation Isoflavones / pharmacology Retinoid X Receptor alpha / metabolism Retinoid X Receptor beta / metabolism Kaempferols / pharmacology Luteolin / pharmacology

来  源:   DOI:10.31557/APJCP.2024.25.7.2329

Abstract:
BACKGROUND: Prostate cancer has emerged as a widespread health concern, with systemic inflammation believed to substantially contribute to its development and progression. The presence of systemic inflammatory responses has been established as an independent predictor of unfavorable long-term outcomes in prostate cancer patients. The goal of this study is to inhibit RXRα and RXRβ receptors, which are involved in prostate cancer, with Luteolin, Formononetin, and Kaempferol, with varying success.
METHODS: Retinoid X receptors (RXRs) hold crucial roles within the nuclear receptor (NR) superfamily, and compelling evidence from preclinical studies underscores the therapeutic potential of targeting RXRs for treating neurodegenerative and inflammatory conditions. Consequently, the ability to regulate and modulate RXRs using phytoestrogen ligands, Formononetin, Kaempferol, and Luteolin, assume paramount importance in treatment strategies.
RESULTS: The comprehensive in silico findings of this study vividly demonstrate the remarkable efficacy of Luteolin in inhibiting and modulating RXRα and RXRβ, while Formononetin emerges as a notably potent suppressor of RXRβ. Kaempferol, as the third compound, also exhibits commendable inhibitory attributes, although its impact is slightly less pronounced compared to the other two.
CONCLUSIONS: These findings highlight the notable binding and inhibition capabilities to RXRα and RXRβ, offering valuable insights for potential prostate cancer treatment avenues warranting further exploration through in vitro and in vivo analyses.
摘要:
背景:前列腺癌已成为广泛的健康问题,全身性炎症被认为在很大程度上有助于其发展和进展。全身性炎症反应的存在已被确定为前列腺癌患者不利的长期结局的独立预测因子。本研究的目的是抑制RXRα和RXRβ受体,与前列腺癌有关,与木犀草素,Formononetin,和山奈酚,不同的成功。
方法:类视黄醇X受体(RXRs)在核受体(NR)超家族中起着至关重要的作用,来自临床前研究的令人信服的证据强调了靶向RXR治疗神经退行性疾病和炎症的治疗潜力。因此,使用植物雌激素配体调节和调节RXR的能力,Formononetin,山奈酚,和木犀草素,在治疗策略中发挥最重要的作用。
结果:这项研究的综合发现生动地证明了木犀草素在抑制和调节RXRα和RXRβ方面的显着功效,而Formononetin作为RXRβ的显著有效抑制剂出现。山奈酚,作为第三种化合物,还表现出值得称赞的抑制属性,尽管与其他两个相比,其影响不太明显。
结论:这些发现突出了对RXRα和RXRβ的显著结合和抑制能力,为潜在的前列腺癌治疗途径提供有价值的见解,需要通过体外和体内分析进一步探索。
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