A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Synthesis, molecular docking and enzyme inhibitory approaches of some new chalcones engrafted pyrazole as potential antialzheimer, antidiabetic and antioxidant agents (2022)
Islam, M. S., Al-Majid, A. M., Sholkamy, E. N., Yousuf, S., Ayaz, M., Nawaz, A., Wadood, A., Rehman, A. U., Verma, V. P., Bari, A., Haukka, M., Soliman, S. M., & Barakat, A. (2022). Synthesis, molecular docking and enzyme inhibitory approaches of some new chalcones engrafted pyrazole as potential antialzheimer, antidiabetic and antioxidant agents. Journal of Molecular Structure, 1269, Article 133843. https://doi.org/10.1016/j.molstruc.2022.133843
JYU-tekijät tai -toimittajat
Julkaisun tiedot
Julkaisun kaikki tekijät tai toimittajat: Islam, Mohammad Shahidul; Al-Majid, Abdullah Mohammed; Sholkamy, Essam Nageh; Yousuf, Sammer; Ayaz, Muhammad; Nawaz, Asif; Wadood, Abdul; Rehman, Ashfaq Ur; Verma, Ved Prakash; Bari, Ahmed; et al.
Lehti tai sarja: Journal of Molecular Structure
ISSN: 0022-2860
eISSN: 1872-8014
Julkaisuvuosi: 2022
Ilmestymispäivä: 02.08.2022
Volyymi: 1269
Artikkelinumero: 133843
Kustantaja: Elsevier BV
Julkaisumaa: Alankomaat
Julkaisun kieli: englanti
DOI: https://doi.org/10.1016/j.molstruc.2022.133843
Julkaisun avoin saatavuus: Ei avoin
Julkaisukanavan avoin saatavuus:
Tiivistelmä
About 25 chalcones engrafted pyrazole scaffold combined with benzothiophene and indole moieties 5a-y were designed and constructed in two steps using readily available acetyl acetone, phenyl hydrazine and DMF-DMA as starting material. The synthesized chalcone analogs were screened for in vitro anti-acetylcholinesterase potential, antidiabetic potential against α-glucosidase and α-amylase, and antioxidant potentials against DPPH free radicals. The compounds 5a, 5r, 5m, 5o and 5p showed strongest acetylcholine esterase inhibition (AChEI) with IC50 values of 5 ± 1.16 μg/mL (5p), 8 ± 0.14 μg/mL (5a), 8 ± 0.57 μg/mL (5r), 10 ± 1.73 μg/mL (5m) and 10 ± 0.60 μg/mL (5o). The highest inhibition against α-glucosidase was demonstrated by compounds 5f, 5o, 5j, 5e, 5c, and 5a with IC50 values of 4 ± 0.14, 6 ± 0.43, 8 ± 0.43, 10 ± 0.11, 11 ± 0.28 and 12 ± 0.57 μg/mL respectively, whereas, the compounds 5x, 5d, 5w, 5y and 5u showed prominent α-amylase inhibition with IC50 values of 20 ± 1.15 μg/mL (5x), 30 ± 0.60 μg/mL (5d), 40 ± 0.72 μg/mL (5w), 40 ± 0.50 μg/mL (5y), and 60 ± 2.19 μg/mL (5u). The highest anti-oxidant potential against DPPH free radicals was demonstrated by compounds 5w, 5v and 5y with IC50 values of 160 ± 5.77, 260 ± 4.63, and 360 ± 4.04 μg/mL respectively. Molecular docking was used to study their interaction with the active site of enzymes.
YSO-asiasanat: heterosykliset yhdisteet; typpiyhdisteet; bioaktiiviset yhdisteet; inhibiittorit; antioksidantit
Vapaat asiasanat: pyrazole; aldol condensation; indoles; chalcones; acetylcholinesterase (AChE); diabetes; α-glucosidase and α-amylase inhibition; antioxidant potentials (DPPH)
Liittyvät organisaatiot
OKM-raportointi: Kyllä
Raportointivuosi: 2022
JUFO-taso: 1
