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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 11
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Research Articles

Virtual repurposing of ursodeoxycholate and chenodeoxycholate as lead candidates against SARS-Cov2-Envelope protein: A molecular dynamics investigation

Reena Yadava Department of Experimental Medicine and Biotechnology, Postgraduate Institute of Medical Education and Research, Chandigarh, India;
,
Chinmayee Choudhurya Department of Experimental Medicine and Biotechnology, Postgraduate Institute of Medical Education and Research, Chandigarh, India;
,
Yashwant Kumarb Department of Immunopathology, Postgraduate Institute of Medical Education and Research, Chandigarh, India
&
Alka Bhatiaa Department of Experimental Medicine and Biotechnology, Postgraduate Institute of Medical Education and Research, Chandigarh, India; Correspondence[email protected]
Pages 5147-5158 | Received 18 Aug 2020, Accepted 18 Dec 2020, Published online: 31 Dec 2020

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Gisele Rocha Aguiar, Telma Leda Gomes de Lemos, Raimundo Braz-Filho, Aluísio Marques da Fonseca, Emmanuel Silva Marinho, Paulo Riceli Vasconcelos Ribeiro, Kirley Marques Canuto & Francisco José Queiroz Monte. (2023) Synthesis and in silico study of chenodeoxycholic acid and its analogues as an alternative inhibitor of spike glycoprotein of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 41:17, pages 8334-8348.
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Articles from other publishers (3)

Yiwen Huang, Hui Lu, Zhong Li, Yuan Zeng, Qi Xu & Yang Wu. (2023) Development of HPLC-CAD method for simultaneous quantification of nine related substances in ursodeoxycholic acid and identification of two unknown impurities by HPLC-Q-TOF-MS. Journal of Pharmaceutical and Biomedical Analysis 229, pages 115357.
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Francisco Javier Rodal Canales, Laura Pérez-Campos Mayoral, María Teresa Hernández-Huerta, Luis Manuel Sánchez Navarro, Carlos Alberto Matias-Cervantes, Margarito Martínez Cruz, Eli Cruz Parada, Edgar Zenteno, Edgar Gustavo Ramos-Martínez, Eduardo Pérez-Campos Mayoral, Carlos Romero Díaz & Eduardo Pérez-Campos. (2021) Interaction of Spike protein and lipid membrane of SARS-CoV-2 with Ursodeoxycholic acid, an in-silico analysis. Scientific Reports 11:1.
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Mohsen Khosravi. (2021) Ursodeoxycholic Acid in Patients With Treatment-Resistant Schizophrenia Suffering From Coronavirus Disease 2019: A Hypothesis Letter. Frontiers in Psychiatry 12.
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