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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 16
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Research Articles

Pharmacophore-based virtual screening, molecular docking, and molecular dynamics studies for the discovery of novel FLT3 inhibitors

Mebarka Ouassafa Group of Computational and Medicinal Chemistry, LMCE Laboratory, University of Biskra, Biskra, AlgeriaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-0292-0949
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Ossama Daouib Laboratory of Engineering, Systems, and Applications, National School of Applied Sciences, Sidi Mohamed Ben Abdellah-Fez University, Fez, MoroccoORCID Iconhttps://orcid.org/0000-0003-2265-7903
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Sarfaraz Alamc Department of Chemical Engineering, University of Waterlo, Waterloo, CanadaORCID Iconhttps://orcid.org/0000-0002-7246-8687
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Souad Elkhattabib Laboratory of Engineering, Systems, and Applications, National School of Applied Sciences, Sidi Mohamed Ben Abdellah-Fez University, Fez, MoroccoORCID Iconhttps://orcid.org/0000-0001-9281-8536
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Salah Belaidia Group of Computational and Medicinal Chemistry, LMCE Laboratory, University of Biskra, Biskra, AlgeriaORCID Iconhttps://orcid.org/0000-0002-6949-4518
ORCID Icon &
Samir Chtitad Laboratory of Analytical and Molecular Chemistry, Faculty of Sciences Ben M’Sik, Hassan II University of Casablanca, Casablanca, MoroccoORCID Iconhttps://orcid.org/0000-0003-2344-5101
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Pages 7712-7724 | Received 27 Jun 2022, Accepted 06 Sep 2022, Published online: 15 Sep 2022

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Mater H. Mahnashi, Saqib Ali, Osama M. Alshehri, Ibrahim Abdullah Almazni, Saeed Ahmed Asiri, Abdul Sadiq, Rehman Zafar & Muhammad Saeed Jan. (2023) Pharmacological evaluations of amide carboxylates as potential anti-Alzheimer agents: anti-radicals, enzyme inhibition, simulation and behavioral studies in animal models. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-20.
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Amneh Shtaiwi. (2023) Thiadiazine-thiones as inhibitors of leishmania pteridine reductase (PTR1) target: investigations and in silico approach. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-10.
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Ryunosuke Yoshino, Nobuaki Yasuo, Yohsuke Hagiwara, Takashi Ishida, Daniel Ken Inaoka, Yasushi Amano, Yukihiro Tateishi, Kazuki Ohno, Ichiji Namatame, Tatsuya Niimi, Masaya Orita, Kiyoshi Kita, Yutaka Akiyama & Masakazu Sekijima. (2023) Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro , and X-ray Crystallography . ACS Omega 8:29, pages 25850-25860.
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