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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 21
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Research Articles

Identification of potent EGFR-TKD inhibitors from NPACT database through combined computational approaches

Showkat Ahmad Mira School of Life Sciences, Sambalpur University, Jyoti Vihar, Odisha, IndiaCorrespondence[email protected] [email protected]
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Auwal Muhammadb Department of Physics, Kano University of Science and Technology, Wudil, NigeriaView further author information
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Archana Padhiarya School of Life Sciences, Sambalpur University, Jyoti Vihar, Odisha, IndiaView further author information
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Nirius Jenen Ekkaa School of Life Sciences, Sambalpur University, Jyoti Vihar, Odisha, IndiaORCID Iconhttps://orcid.org/0000-0001-7481-761XView further author information
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Iswar Baitharuc Department of Environmental Sciences, Sambalpur University, Jyoti Vihar, Odisha, IndiaORCID Iconhttps://orcid.org/0000-0002-3046-2076View further author information
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Pradeep Kumar Naikd Department of Biotechnology and Bioinformatics, Sambalpur University, Jyoti Vihar, Odisha, IndiaView further author information
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Binata Nayaka School of Life Sciences, Sambalpur University, Jyoti Vihar, Odisha, IndiaCorrespondence[email protected] [email protected]
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Pages 12063-12076 | Received 29 Sep 2022, Accepted 27 Dec 2022, Published online: 25 Jan 2023

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Mahmoud G. Abo Al-Hamd, Haytham O. Tawfik, Omeima Abdullah, Koki Yamaguchi, Masaharu Sugiura, Ahmed B. M. Mehany, Mervat H. El-Hamamsy & Tarek F. El-Moselhy. (2023) Recruitment of hexahydroquinoline as anticancer scaffold targeting inhibition of wild and mutants EGFR (EGFRWT, EGFRT790M, and EGFRL858R). Journal of Enzyme Inhibition and Medicinal Chemistry 38:1.
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Rajesh Kumar Meher, Showkat Ahmad Mir & Siva Shanker Anisetti. (2023) In silico and in vitro investigation of dual targeting Prima-1MET as precision therapeutic against lungs cancer. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-16.
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Muhammad Abrar Yousaf, Sadia Anjum Anwer, Shefin Basheera & Sreekumar Sivanandan. (2023) Computational investigation of Moringa oleifera phytochemicals targeting EGFR: molecular docking, molecular dynamics simulation and density functional theory studies. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-23.
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Bhagyeswari Behera, Rajesh Kumar Meher, Showkat Ahmad Mir, Binata Nayak & Kunja Bihari Satapathy. Phytochemical profiling, in vitro analysis for anti-inflammatory, immunomodulatory activities, structural elucidation and in silico evaluation of potential selective COX-2 and TNF-α inhibitor from Hydrilla verticillata (L.f.) Royle. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-15.
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Showkat Ahmad Mir, Binata Nayak, Andleeb Khan, Mohammad Imran Khan, Basmah M. Eldakhakhny & Deema O. Arif. An exploration of binding of Hesperidin, Rutin, and Thymoquinone to acetylcholinesterase enzyme using multi-level computational approaches. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-15.
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Articles from other publishers (1)

Showkat Ahmad Mir, Jamoliddin Razzokov, Vishwajeet Mukherjee, Iswar Baitharu & Binata Nayak. (2023) An exploration of the binding prediction of anatoxin-a and atropine to acetylcholinesterase enzyme using multi-level computer simulations. Physical Biology 21:1, pages 016002.
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