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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 4
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Research Articles

In silico exploration of small-molecule α-helix mimetics as inhibitors of SARS-COV-2 attachment to ACE2

Mohammed Hakmia Medical Biotechnology Laboratory (MedBiotech), Bioinova Research Center, Rabat Medical & Pharmacy School, Mohammed Vth University in Rabat, Rabat, Morocco
,
E L Mehdi Bourichaa Medical Biotechnology Laboratory (MedBiotech), Bioinova Research Center, Rabat Medical & Pharmacy School, Mohammed Vth University in Rabat, Rabat, Morocco
,
Jihane Akachara Medical Biotechnology Laboratory (MedBiotech), Bioinova Research Center, Rabat Medical & Pharmacy School, Mohammed Vth University in Rabat, Rabat, Morocco
,
Badreddine Lmimounib Laboratory of medical parasitology and mycology, Military Hospital Mohammed V, Rabat Medical & Pharmacy School, Mohammed Vth University in Rabat, Bioinova Research Center, Rabat, Morocco
,
Jaouad El Hartic Therapeutic Chemistry Laboratory, Medical Biotechnology Laboratory (MedBiotech), Rabat Medical & Pharmacy School, Mohammed Vth University in Rabat, Rabat, Morocco
,
Lahcen Belyamanid Emergency Department, Military Hospital Mohammed V, Rabat Medical & Pharmacy School, Mohammed Vth University in Rabat, Bioinova Research Center, Rabat, Morocco
&
Azeddine Ibrahimia Medical Biotechnology Laboratory (MedBiotech), Bioinova Research Center, Rabat Medical & Pharmacy School, Mohammed Vth University in Rabat, Rabat, MoroccoCorrespondence[email protected]
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Pages 1546-1557 | Received 30 Jun 2020, Accepted 23 Sep 2020, Published online: 07 Oct 2020

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Kateryna V. Miroshnychenko & Anna V. Shestopalova. (2022) Combined use of the hepatitis C drugs and amentoflavone could interfere with binding of the spike glycoprotein of SARS-CoV-2 to ACE2: the results of a molecular simulation study. Journal of Biomolecular Structure and Dynamics 40:19, pages 8672-8686.
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Articles from other publishers (4)

Akinbode A. Adedeji & Paul Priyesh Vijayakumar. (2022) The propensity of fomite spread of SARS-CoV-2 virus through produce supply chain. Bulletin of the National Research Centre 46:1.
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Kaifu Gao, Rui Wang, Jiahui Chen, Limei Cheng, Jaclyn Frishcosy, Yuta Huzumi, Yuchi Qiu, Tom Schluckbier, Xiaoqi Wei & Guo-Wei Wei. (2022) Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2. Chemical Reviews 122:13, pages 11287-11368.
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Lucas Weißenborn, Elie Richel, Helena Hüseman, Julia Welzer, Silvan Beck, Simon Schäfer, Heinrich Sticht, Klaus Überla & Jutta Eichler. (2022) Smaller, Stronger, More Stable: Peptide Variants of a SARS-CoV-2 Neutralizing Miniprotein. International Journal of Molecular Sciences 23:11, pages 6309.
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Victor H. Vázquez-Valadez, Alejandro Hernández-Serda, Ma. Fernanda Jiménez-Cabiedes, Pablo Aguirre-Vidal, Ingrid González-Tapia, Laura Carreño-Vargas, Yoshio A. Alarcón-López, Andrea Espejel-Fuentes, Pablo Martínez-Soriano, Miguel Lugo Álvarez, Ana María Velázquez-Sánchez, Nathan Marko Markarian, Enrique Angeles & Levon Abrahamyan. (2021) Evaluation of Inhibitory Activity In Silico of In-House Thiomorpholine Compounds between the ACE2 Receptor and S1 Subunit of SARS-CoV-2 Spike. Pathogens 10:9, pages 1208.
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