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In silico screening of a series of 1,6-disubstituted 1H-pyrazolo[3,4-d]pyrimidines as potential selective inhibitors of the Janus kinase 3.
J Biomol Struct Dyn. 2024 Jun;42(9):4456-4474. doi: 10.1080/07391102.2023.2220829. Epub 2023 Jun 15.
J Biomol Struct Dyn. 2024.
PMID: 37317996
Molecular docking, molecular dynamics simulations and reactivity, studies on approved drugs library targeting ACE2 and SARS-CoV-2 binding with ACE2.
Khelfaoui H, Harkati D, Saleh BA.
Khelfaoui H, et al. Among authors: harkati d.
J Biomol Struct Dyn. 2021 Nov;39(18):7246-7262. doi: 10.1080/07391102.2020.1803967. Epub 2020 Aug 5.
J Biomol Struct Dyn. 2021.
PMID: 32752951
Free PMC article.
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A computational study of potent series of selective estrogen receptor degraders for breast cancer therapy.
Zekri A, Harkati D, Kenouche S, Saleh BA, Alnajjar R.
Zekri A, et al. Among authors: harkati d.
J Biomol Struct Dyn. 2023 Dec;41(20):11078-11100. doi: 10.1080/07391102.2022.2159877. Epub 2022 Dec 20.
J Biomol Struct Dyn. 2023.
PMID: 36537313
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Carbazole derivatives containing chalcone analogues targeting topoisomerase II inhibition: First principles characterization and QSAR modelling.
Ghamri M, Harkati D, Belaidi S, Boudergua S, Said RB, Linguerri R, Chambaud G, Hochlaf M.
Ghamri M, et al. Among authors: harkati d.
Spectrochim Acta A Mol Biomol Spectrosc. 2020 Dec 5;242:118724. doi: 10.1016/j.saa.2020.118724. Epub 2020 Jul 22.
Spectrochim Acta A Mol Biomol Spectrosc. 2020.
PMID: 32769058
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Conformational analysis in 18-membered macrolactones based on molecular modeling.
Belaidi S, Harkati D.
Belaidi S, et al. Among authors: harkati d.
ISRN Org Chem. 2011 Apr 19;2011:594242. doi: 10.5402/2011/594242. eCollection 2011.
ISRN Org Chem. 2011.
PMID: 24052826
Free PMC article.
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