{"entity": "researcher", "timestamp": "2026-08-20T20:49:53.878Z", "family": "Hanashalshahaby", "given": "Essam", "initials": "E", "orcid": "0000-0003-1191-3270", "affiliations": [], "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/researcher/f199cdb77dfa48a093178f6d3be98085.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/researcher/f199cdb77dfa48a093178f6d3be98085"}}, "publications": [{"entity": "publication", "iuid": "9a6d206ad768400a981aae0243ebc5b6", "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/publication/9a6d206ad768400a981aae0243ebc5b6.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/publication/9a6d206ad768400a981aae0243ebc5b6"}}, "title": "Synthesis of novel tetrahydrobenzo[b]thiophene-3-carbonitrile (THBTC)-based heterocycles: Structural insights, reactivity profiles, and in-silico bioactivity studies", "authors": [{"family": "Sebhaoui", "given": "Jihad", "initials": "J", "orcid": "0000-0001-8197-2693", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/1129c3dc81a0411a8e90590da5d1451e.json"}}, {"family": "Ashraf", "given": "Sajda", "initials": "S"}, {"family": "Iqbal", "given": "Shazia", "initials": "S", "orcid": "0000-0002-5392-0930", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/1c29d7e59eb24c0aa92aa06d9fe419f5.json"}}, {"family": "Hajji", "given": "Melek", "initials": "M", "orcid": "0000-0002-6145-2858", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/119d9c8302a349efbbfb3476d77b5ae1.json"}}, {"family": "Belmen", "given": "Burcu", "initials": "B", "orcid": "0000-0002-3073-7420", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/4b88f2d19dba4a4a94c7b233667c4f82.json"}}, {"family": "Ye\u015filyurt", "given": "G\u00fcldeniz", "initials": "G"}, {"family": "Hanashalshahaby", "given": "Essam", "initials": "E", "orcid": "0000-0003-1191-3270", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f199cdb77dfa48a093178f6d3be98085.json"}}, {"family": "Zhang", "given": "Cheng", "initials": "C", "orcid": "0000-0002-3721-8586", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f46e4161be08458994efddb75ed75874.json"}}, {"family": "Uhlen", "given": "Mathias", "initials": "M"}, {"family": "Boren", "given": "Jan", "initials": "J"}, {"family": "Turkez", "given": "Hasan", "initials": "H"}, {"family": "Mardinoglu", "given": "Adil", "initials": "A"}], "type": "journal-article", "published": "2025-04-00", "journal": {"title": "Journal of Molecular Structure", "issn": "0022-2860", "volume": "1326", "pages": "141110", "issn-l": null}, "abstract": null, "doi": "10.1016/j.molstruc.2024.141110", "pmid": null, "labels": [], "xrefs": [], "notes": [], "created": "2026-08-20T08:01:40.299Z", "modified": "2026-08-20T08:01:40.392Z"}, {"entity": "publication", "iuid": "42b805412dd5474780bdeee568e16e70", "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/publication/42b805412dd5474780bdeee568e16e70.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/publication/42b805412dd5474780bdeee568e16e70"}}, "title": "Design, Synthesis, and Computational Evaluation of 3,4-Dihydroquinolin-2(1H)-One Analogues as Potential VEGFR2 Inhibitors in Glioblastoma Multiforme.", "authors": [{"family": "Buhlak", "given": "Shafeek", "initials": "S", "orcid": "0000-0002-1262-2996", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/8eec6cc8462c4eecab758c9923343830.json"}}, {"family": "Abad", "given": "Nadeem", "initials": "N"}, {"family": "Akachar", "given": "Jihane", "initials": "J"}, {"family": "Saffour", "given": "Sana", "initials": "S"}, {"family": "Kesgun", "given": "Yunus", "initials": "Y"}, {"family": "Dik", "given": "Sevval", "initials": "S"}, {"family": "Yasin", "given": "Betul", "initials": "B", "orcid": "0000-0002-6172-4542", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/55d40e74170c496f82144f29f452326b.json"}}, {"family": "Bati-Ayaz", "given": "Gizem", "initials": "G", "orcid": "0000-0002-8066-5867", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/a216498d4ce044fbb8535f28f4f76804.json"}}, {"family": "Hanashalshahaby", "given": "Essam", "initials": "E", "orcid": "0000-0003-1191-3270", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f199cdb77dfa48a093178f6d3be98085.json"}}, {"family": "T\u00fcrkez", "given": "Hasan", "initials": "H", "orcid": "0000-0002-7046-8990", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/cf2f1748757d45cabfe56fdfaccead6a.json"}}, {"family": "Mardinoglu", "given": "Adil", "initials": "A", "orcid": "0000-0002-4254-6090", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/ca58bf2d214047e0ae5e38a42a0f2808.json"}}], "type": "journal article", "published": "2025-02-08", "journal": {"title": "Pharmaceuticals (Basel, Switzerland)", "issn": "1424-8247", "volume": "18", "issue": "2", "issn-l": "1424-8247"}, "abstract": "Background/Objectives: Glioblastoma multiforme (GBM), an aggressive and deadly brain tumour, presents significant challenges in achieving effective treatment due to its resistance to current therapies and poor prognosis. This study aimed to synthesise and evaluate 23 novel analogues of 3,4-dihydroquinolin-2(1H)-one, designed to enhance druggability and solubility, and to investigate their potential as VEGFR2 inhibitors for GBM treatment. Methods: The synthesised compounds were analysed using in silico methods, including molecular docking and dynamics studies, to assess their interactions with key residues within the VEGFR2 binding pocket. In vitro evaluations were performed on U87-MG and U138-MG GBM cell lines using MTT assays to determine the IC50 values of the compounds. Results: Among the tested compounds, 4u (IC50 = 7.96 \u03bcM), 4t (IC50 = 10.48 \u03bcM), 4m (IC50 = 4.20 \u03bcM), and 4q (IC50 = 8.00 \u03bcM) demonstrated significant antiproliferative effects against both the U87-MG and U138-MG cell lines. These compounds exhibited markedly higher efficacy compared to temozolomide (TMZ), which showed IC50 values of 92.90 \u03bcM and 93.09 \u03bcM for U87-MG and U138-MG, respectively. Molecular docking and dynamics studies confirmed strong interactions between the compounds and VEGFR2 kinase, supporting their substantial anti-cancer activity. Conclusions: This study highlights the promising potential of 3,4-dihydroquinolin-2(1H)-one analogues, particularly 4m, 4q, 4t, and 4u, as VEGFR2-targeting therapeutic agents for GBM treatment. Further detailed research is warranted to validate and expand upon these findings.", "doi": "10.3390/ph18020233", "pmid": "40006046", "labels": [], "xrefs": [{"db": "pmc", "key": "PMC11859309"}, {"db": "pii", "key": "ph18020233"}], "notes": [], "created": "2026-08-20T13:42:52.905Z", "modified": "2026-08-20T13:42:53.075Z"}, {"entity": "publication", "iuid": "821435f938104c6e9864a8b8db4e5d9b", "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/publication/821435f938104c6e9864a8b8db4e5d9b.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/publication/821435f938104c6e9864a8b8db4e5d9b"}}, "title": "Synthesis, spectroscopic characterization, DFT and molecular docking of N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl) naphthalene-1-sulfonamide derivatives", "authors": [{"family": "Ashraf", "given": "Sajda", "initials": "S", "orcid": "0000-0003-4378-2754", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/be7921c88b06497c8f3a88e5c8ee1825.json"}}, {"family": "Iqbal", "given": "Shazia", "initials": "S", "orcid": "0000-0002-5392-0930", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/1c29d7e59eb24c0aa92aa06d9fe419f5.json"}}, {"family": "Sebhaoui", "given": "Jihad", "initials": "J"}, {"family": "Ozcan", "given": "Mehmet", "initials": "M", "orcid": "0000-0002-1222-2802", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/e690dbebe4144d72b97aad264290fd72.json"}}, {"family": "Kim", "given": "Woonghee", "initials": "W"}, {"family": "Belmen", "given": "Burcu", "initials": "B", "orcid": "0000-0002-3073-7420", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/4b88f2d19dba4a4a94c7b233667c4f82.json"}}, {"family": "Ye\u015filyurt", "given": "G\u00fcldeniz", "initials": "G", "orcid": "0009-0009-7203-2769", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/783843b295954347a1f6e2652f23d310.json"}}, {"family": "Hanashalshahaby", "given": "Essam", "initials": "E", "orcid": "0000-0003-1191-3270", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f199cdb77dfa48a093178f6d3be98085.json"}}, {"family": "Zhang", "given": "Cheng", "initials": "C", "orcid": "0000-0002-3721-8586", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f46e4161be08458994efddb75ed75874.json"}}, {"family": "Uhlen", "given": "Mathias", "initials": "M"}, {"family": "Boren", "given": "Jan", "initials": "J"}, {"family": "Turkez", "given": "Hasan", "initials": "H"}, {"family": "Mardinoglu", "given": "Adil", "initials": "A"}], "type": "journal-article", "published": "2024-09-00", "journal": {"title": "Journal of Molecular Structure", "issn": "0022-2860", "volume": "1312", "pages": "138470", "issn-l": null}, "abstract": null, "doi": "10.1016/j.molstruc.2024.138470", "pmid": null, "labels": [], "xrefs": [], "notes": [], "created": "2026-08-20T08:01:38.391Z", "modified": "2026-08-20T08:01:38.560Z"}, {"entity": "publication", "iuid": "cffa071ba4ad4ce69a53cdd3fd7b751e", "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/publication/cffa071ba4ad4ce69a53cdd3fd7b751e.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/publication/cffa071ba4ad4ce69a53cdd3fd7b751e"}}, "title": "Unveiling structural features, chemical reactivity, and bioactivity of a newly synthesized purine derivative through crystallography and computational approaches", "authors": [{"family": "Abad", "given": "Nadeem", "initials": "N"}, {"family": "Buhlak", "given": "Shafeek", "initials": "S", "orcid": "0000-0002-1262-2996", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/8eec6cc8462c4eecab758c9923343830.json"}}, {"family": "Hajji", "given": "Melek", "initials": "M", "orcid": "0000-0002-6145-2858", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/119d9c8302a349efbbfb3476d77b5ae1.json"}}, {"family": "Saffour", "given": "Sana", "initials": "S", "orcid": "0000-0001-8124-9315", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/63af7eb4ccb54cea8a8b8ce755016419.json"}}, {"family": "Akachar", "given": "Jihane", "initials": "J"}, {"family": "Kesgun", "given": "Yunus", "initials": "Y"}, {"family": "Al-Ghulikah", "given": "Hanan", "initials": "H"}, {"family": "Hanashalshahaby", "given": "Essam", "initials": "E", "orcid": "0000-0003-1191-3270", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f199cdb77dfa48a093178f6d3be98085.json"}}, {"family": "Turkez", "given": "Hasan", "initials": "H"}, {"family": "Mardinoglu", "given": "Adil", "initials": "A"}], "type": "journal-article", "published": "2024-09-00", "journal": {"title": "Journal of Molecular Structure", "issn": "0022-2860", "volume": "1311", "pages": "138400", "issn-l": null}, "abstract": null, "doi": "10.1016/j.molstruc.2024.138400", "pmid": null, "labels": [], "xrefs": [], "notes": [], "created": "2026-08-20T08:01:31.846Z", "modified": "2026-08-20T08:01:32.055Z"}, {"entity": "publication", "iuid": "adeab0e17eaa4796b6c3c96682ae46aa", "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/publication/adeab0e17eaa4796b6c3c96682ae46aa.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/publication/adeab0e17eaa4796b6c3c96682ae46aa"}}, "title": "Discovery of Cell-Permeable Allosteric Inhibitors of Liver Pyruvate Kinase: Design and Synthesis of Sulfone-Based Urolithins.", "authors": [{"family": "Iqbal", "given": "Shazia", "initials": "S", "orcid": "0000-0002-5392-0930", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/1c29d7e59eb24c0aa92aa06d9fe419f5.json"}}, {"family": "Islam", "given": "Md Zahidul", "initials": "MZ"}, {"family": "Ashraf", "given": "Sajda", "initials": "S", "orcid": "0000-0003-4378-2754", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/be7921c88b06497c8f3a88e5c8ee1825.json"}}, {"family": "Kim", "given": "Woonghee", "initials": "W"}, {"family": "Al-Sharabi", "given": "Amal A", "initials": "AA", "orcid": "0000-0002-9745-0838", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/21a6ae2b4e0749018ae94109167106c1.json"}}, {"family": "Ozcan", "given": "Mehmet", "initials": "M", "orcid": "0000-0002-1222-2802", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/e690dbebe4144d72b97aad264290fd72.json"}}, {"family": "Hanashalshahaby", "given": "Essam", "initials": "E", "orcid": "0000-0003-1191-3270", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f199cdb77dfa48a093178f6d3be98085.json"}}, {"family": "Zhang", "given": "Cheng", "initials": "C", "orcid": "0000-0002-3721-8586", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f46e4161be08458994efddb75ed75874.json"}}, {"family": "Uhl\u00e9n", "given": "Mathias", "initials": "M", "orcid": "0000-0002-4858-8056", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/9ea446aa574042a295d5f69437402f76.json"}}, {"family": "Boren", "given": "Jan", "initials": "J"}, {"family": "Turkez", "given": "Hasan", "initials": "H", "orcid": "0000-0002-7046-8990", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/cf2f1748757d45cabfe56fdfaccead6a.json"}}, {"family": "Mardinoglu", "given": "Adil", "initials": "A", "orcid": "0000-0002-4254-6090", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/ca58bf2d214047e0ae5e38a42a0f2808.json"}}], "type": "journal article", "published": "2024-07-22", "journal": {"title": "Int J Mol Sci", "issn": "1422-0067", "volume": "25", "issue": "14", "issn-l": null}, "abstract": "Metabolic dysfunction-associated fatty liver disease (MAFLD) presents a significant global health challenge, characterized by the accumulation of liver fat and impacting a considerable portion of the worldwide population. Despite its widespread occurrence, effective treatments for MAFLD are limited. The liver-specific isoform of pyruvate kinase (PKL) has been identified as a promising target for developing MAFLD therapies. Urolithin C, an allosteric inhibitor of PKL, has shown potential in preliminary studies. Expanding upon this groundwork, our study delved into delineating the structure-activity relationship of urolithin C via the synthesis of sulfone-based urolithin analogs. Our results highlight that incorporating a sulfone moiety leads to substantial PKL inhibition, with additional catechol moieties further enhancing this effect. Despite modest improvements in liver cell lines, there was a significant increase in inhibition observed in HepG2 cell lysates. Specifically, compounds 15d, 9d, 15e, 18a, 12d, and 15a displayed promising IC50 values ranging from 4.3 \u00b5M to 18.7 \u00b5M. Notably, compound 15e not only demonstrated a decrease in PKL activity and triacylglycerol (TAG) content but also showed efficient cellular uptake. These findings position compound 15e as a promising candidate for pharmacological MAFLD treatment, warranting further research and studies.", "doi": "10.3390/ijms25147986", "pmid": "39063228", "labels": [], "xrefs": [{"db": "pmc", "key": "PMC11277446"}, {"db": "pii", "key": "ijms25147986"}], "notes": [], "created": "2026-08-20T13:41:56.465Z", "modified": "2026-08-20T13:41:56.616Z"}]}