Shama Khan to Molecular Docking Simulation
This is a "connection" page, showing publications Shama Khan has written about Molecular Docking Simulation.
Connection Strength
1,490
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Structure-based identification of novel inhibitors targeting the enoyl-ACP reductase enzyme of Acinetobacter baumannii. Sci Rep. 2023 12 04; 13(1):21331.
Score: 0,221
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Targeting ebola virus VP40 protein through novel inhibitors: exploring the structural and dynamic perspectives on molecular landscapes. J Mol Model. 2021 Jan 25; 27(2):49.
Score: 0,182
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Structure-based identification of potential SARS-CoV-2 main protease inhibitors. J Biomol Struct Dyn. 2022 05; 40(8):3595-3608.
Score: 0,179
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Identification of Potential Inhibitors of Calcium/Calmodulin-Dependent Protein Kinase IV from Bioactive Phytoconstituents. Oxid Med Cell Longev. 2020; 2020:2094635.
Score: 0,175
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Reversible versus irreversible inhibition modes of ERK2: a comparative analysis for ERK2 protein kinase in cancer therapy. Future Med Chem. 2018 05 01; 10(9):1003-1015.
Score: 0,150
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Covalent Inhibition in Drug Discovery: Filling the Void in Literature. Curr Top Med Chem. 2018; 18(13):1135-1145.
Score: 0,147
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Thymoquinone, artemisinin, and thymol attenuate proliferation of lung cancer cells as Sphingosine kinase 1 inhibitors. Biomed Pharmacother. 2024 Aug; 177:117123.
Score: 0,058
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Exploring therapeutic potential of Rutin by investigating its cyclin-dependent kinase 6 inhibitory activity and binding affinity. Int J Biol Macromol. 2024 Apr; 264(Pt 2):130624.
Score: 0,056
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Investigating the role of thymol as a promising inhibitor of pyruvate dehydrogenase kinase 3 for targeted cancer therapy. Int J Biol Macromol. 2024 Feb; 259(Pt 2):129314.
Score: 0,056
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Discovering potential inhibitors of Raf proto-oncogene serine/threonine kinase 1: a virtual screening approach towards anticancer drug development. J Biomol Struct Dyn. 2024 Feb-Mar; 42(4):1846-1857.
Score: 0,053
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MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer's Disease. Int J Mol Sci. 2021 Oct 12; 22(20).
Score: 0,048
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Structure-based investigation of MARK4 inhibitory potential of Naringenin for therapeutic management of cancer and neurodegenerative diseases. J Cell Biochem. 2021 10; 122(10):1445-1459.
Score: 0,047
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ABBV-744 as a potential inhibitor of SARS-CoV-2 main protease enzyme against COVID-19. Sci Rep. 2021 01 08; 11(1):234.
Score: 0,045
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Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase through Target-Focused Modelling. Molecules. 2019 Aug 28; 24(17).
Score: 0,041
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PKR-inhibitor binds efficiently with human microtubule affinity-regulating kinase 4. J Mol Graph Model. 2015 Nov; 62:245-252.
Score: 0,032