Roy Tithi, Boateng Samuel T, Banang-Mbeumi Sergette, Singh Pankaj K, Basnet Pratik, Chamcheu Roxane-Cherille N, Ladu Federico, Chauvin Isabel, Spiegelman Vladimir S, Hill Ronald A, Kousoulas Konstantin G, Nagalo Bolni Marius, Walker Anthony L, Fotie Jean, Murru Siva, Sechi Mario, Chamcheu Jean Christopher
School of Basic Pharmaceutical and Toxicological Sciences, College of Pharmacy, University of Louisiana - Monroe, Monroe, LA 71209-0497, USA.
Department of Chemistry and Pharmacy, University of Sassari, Via Vienna 2, 07100 Sassari, Italy.
Data Brief. 2021 Feb 10;35:106858. doi: 10.1016/j.dib.2021.106858. eCollection 2021 Apr.
This article contains supplemental datasets of the recently published related research article by Roy et al., [1]. It provides in-depth data not included in the original co-submission on the biophysical, molecular docking, and biological characterization of newly synthesized flavonol-based analogs of fisetin, a natural dietary small molecule with anticancer and anti-inflammatory properties. These synthetic small molecules were investigated as new, potential single and/or multi-kinase inhibitors of the cyclin-dependent kinase-2 (CDK2), receptor tyrosine kinases (c-KITs), and mammalian targets of rapamycin (mTOR) targets, potentially active against melanoma or non-melanoma skin cancers. Furthermore, this data-in-brief article comprises additional sets of results on several aspects of the properties of the dual and multiple kinase inhibitor compounds' effects that were not presented in the associated article, including the activated targets that are dysregulated in skin cancers; the effects on markers of apoptosis; on colony formation; and in scratch wound healing assays. The study has identified a panel of novel fisetin analogs that are either single- or multi-kinase inhibitors, which may be further developed as active for the treatment of melanoma and non-melanoma skin cancers. The dataset presented herein will be utilized for additional studies aiming to establish a biological platform to steer for predictive and experimental screening of novel flavonoids and analogs in relevant organoids, humanized animal models and disease models. The present results should also serve as a key stepping-stone towards enabling target-structure-based design, synthesis and initial testing of novel analogs or derivatives of fisetin. The current study may eventually lead to the development of safe, promising and preclinical candidate entities for treatment of skin and other forms of cancers as well as various other human diseases, which can possibly add to the general armamentarium of promising and safe drugs for health promotion.
本文包含Roy等人近期发表的相关研究文章[1]的补充数据集。它提供了关于新合成的基于黄酮醇的非瑟酮类似物的生物物理、分子对接和生物学特性的深入数据，非瑟酮是一种具有抗癌和抗炎特性的天然膳食小分子。这些合成小分子被研究作为细胞周期蛋白依赖性激酶-2（CDK2）、受体酪氨酸激酶（c-KITs）和哺乳动物雷帕霉素靶蛋白（mTOR）靶点的新型潜在单激酶和/或多激酶抑制剂，可能对黑色素瘤或非黑色素瘤皮肤癌具有活性。此外，这篇数据简报文章包含了关于双激酶和多激酶抑制剂化合物作用特性几个方面的额外结果集，这些结果在相关文章中未呈现，包括在皮肤癌中失调的激活靶点；对凋亡标志物的影响；对集落形成的影响；以及在划痕伤口愈合试验中的影响。该研究确定了一组新型的非瑟酮类似物，它们是单激酶或多激酶抑制剂，可进一步开发用于治疗黑色素瘤和非黑色素瘤皮肤癌。本文提供的数据集将用于进一步的研究，旨在建立一个生物平台，用于在相关类器官、人源化动物模型和疾病模型中对新型黄酮类化合物及其类似物进行预测性和实验性筛选。目前的结果也应作为迈向基于靶点结构的非瑟酮新型类似物或衍生物的设计、合成和初步测试的关键垫脚石。当前的研究最终可能导致开发出安全、有前景的临床前候选实体，用于治疗皮肤癌和其他形式的癌症以及各种其他人类疾病，这可能会增加促进健康的有前景和安全药物的总体储备。
