PMID- 33665254 OWN - NLM STAT- PubMed-not-MEDLINE LR - 20210926 IS - 2352-3409 (Electronic) IS - 2352-3409 (Linking) VI - 35 DP - 2021 Apr TI - Identification of new fisetin analogs as kinase inhibitors: Data on synthesis and anti-skin cancer activities evaluation. PG - 106858 LID - 10.1016/j.dib.2021.106858 [doi] LID - 106858 AB - This article contains supplemental datasets of the recently published related research article "Synthesis, Inverse Docking-Assisted Identification and in vitro Biological Characterization of Flavonol-based Analogs of Fisetin as c-Kit, CDK2 and mTOR Inhibitors against Melanoma and Non-melanoma Skin Cancers" 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 in vivo 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. FAU - Roy, Tithi AU - Roy T AD - School of Basic Pharmaceutical and Toxicological Sciences, College of Pharmacy, University of Louisiana - Monroe, Monroe, LA 71209-0497, USA. FAU - Boateng, Samuel T AU - Boateng ST AD - School of Basic Pharmaceutical and Toxicological Sciences, College of Pharmacy, University of Louisiana - Monroe, Monroe, LA 71209-0497, USA. FAU - Banang-Mbeumi, Sergette AU - Banang-Mbeumi S AD - School of Basic Pharmaceutical and Toxicological Sciences, College of Pharmacy, University of Louisiana - Monroe, Monroe, LA 71209-0497, USA. FAU - Singh, Pankaj K AU - Singh PK AD - Department of Chemistry and Pharmacy, University of Sassari, Via Vienna 2, 07100 Sassari, Italy. FAU - Basnet, Pratik AU - Basnet P AD - School of Basic Pharmaceutical and Toxicological Sciences, College of Pharmacy, University of Louisiana - Monroe, Monroe, LA 71209-0497, USA. AD - Chemistry, School of Sciences, University of Louisiana at Monroe, Monroe, LA 71209-0497, USA. FAU - Chamcheu, Roxane-Cherille N AU - Chamcheu RN AD - School of Basic Pharmaceutical and Toxicological Sciences, College of Pharmacy, University of Louisiana - Monroe, Monroe, LA 71209-0497, USA. FAU - Ladu, Federico AU - Ladu F AD - Department of Chemistry and Pharmacy, University of Sassari, Via Vienna 2, 07100 Sassari, Italy. FAU - Chauvin, Isabel AU - Chauvin I AD - Chemistry, School of Sciences, University of Louisiana at Monroe, Monroe, LA 71209-0497, USA. FAU - Spiegelman, Vladimir S AU - Spiegelman VS AD - Department of Pediatrics, Division of Pediatric Hematology/Oncology, Pennsylvania State University College of Medicine, Milton S. Hershey Medical Center, Hershey, Pennsylvania 17033-0850, USA. FAU - Hill, Ronald A AU - Hill RA AD - School of Basic Pharmaceutical and Toxicological Sciences, College of Pharmacy, University of Louisiana - Monroe, Monroe, LA 71209-0497, USA. FAU - Kousoulas, Konstantin G AU - Kousoulas KG AD - Division of Biotechnology and Molecular Medicine, School of Veterinary Medicine, Louisiana State University, Baton Rouge, LA 70803, USA. AD - Department of Pathobiological Sciences, School of Veterinary Medicine, Louisiana State University, Baton Rouge, LA 70803, USA. FAU - Nagalo, Bolni Marius AU - Nagalo BM AD - Division of Hematology and Medical Oncology, Mayo Clinic Hospital, Phoenix, AZ, 85054, USA. FAU - Walker, Anthony L AU - Walker AL AD - School of Clinical Sciences, College of Pharmacy, University of Louisiana at Monroe, Monroe, LA 71209-0497, USA. FAU - Fotie, Jean AU - Fotie J AD - Department of Chemistry and Physics, Southeastern Louisiana University, Hammond, LA 70402-0878, USA. FAU - Murru, Siva AU - Murru S AD - Chemistry, School of Sciences, University of Louisiana at Monroe, Monroe, LA 71209-0497, USA. FAU - Sechi, Mario AU - Sechi M AD - Department of Chemistry and Pharmacy, University of Sassari, Via Vienna 2, 07100 Sassari, Italy. FAU - Chamcheu, Jean Christopher AU - Chamcheu JC AD - School of Basic Pharmaceutical and Toxicological Sciences, College of Pharmacy, University of Louisiana - Monroe, Monroe, LA 71209-0497, USA. LA - eng GR - P20 GM103424/GM/NIGMS NIH HHS/United States GR - R01 CA243167/CA/NCI NIH HHS/United States PT - Journal Article DEP - 20210210 PL - Netherlands TA - Data Brief JT - Data in brief JID - 101654995 PMC - PMC7907707 OTO - NOTNLM OT - Anticancer evaluation OT - computational docking OT - fisetin analogs OT - kinase activities OT - melanoma and epidermoid carcinoma OT - skin cancers OT - target prediction COIS- The authors declare that they have no known competing financial interests or personal relationships which have or could be perceived to have influenced the work reported in this article. EDAT- 2021/03/06 06:00 MHDA- 2021/03/06 06:01 PMCR- 2021/02/10 CRDT- 2021/03/05 06:08 PHST- 2021/01/06 00:00 [received] PHST- 2021/01/30 00:00 [revised] PHST- 2021/02/05 00:00 [accepted] PHST- 2021/03/05 06:08 [entrez] PHST- 2021/03/06 06:00 [pubmed] PHST- 2021/03/06 06:01 [medline] PHST- 2021/02/10 00:00 [pmc-release] AID - S2352-3409(21)00142-6 [pii] AID - 106858 [pii] AID - 10.1016/j.dib.2021.106858 [doi] PST - epublish SO - Data Brief. 2021 Feb 10;35:106858. doi: 10.1016/j.dib.2021.106858. eCollection 2021 Apr.