Search Results

Identification of ebselen and its analogues as potent covalent inhibitors of papain-like protease from SARS-CoV-2.

• Authors : Weglarz-Tomczak E; Molecular Biology and Microbial Food Safety Group, Swammerdam Institute for Life Sciences, Faculty of Science, University of Amsterdam, Amsterdam, The Netherlands. .; Tomczak JM

Subjects: Molecular Docking Simulation*; Antiviral Agents/Antiviral Agents/Antiviral Agents/*pharmacology ; Azoles/Azoles/Azoles/*pharmacology

• Source: Scientific reports [Sci Rep] 2021 Feb 11; Vol. 11 (1), pp. 3640. Date of Electronic Publication: 2021 Feb 11.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

Record details

An Androsterone-H 2 @C 60 hybrid: Synthesis, Properties and Molecular Docking Simulations with SARS-Cov-2.

• Authors : Suárez M; Laboratorio de Síntesis Orgánica, Facultad de Química, Universidad de la Habana, 10400, La Habana, Cuba.; Makowski K

Subjects: Molecular Docking Simulation*; Androsterone/Androsterone/Androsterone/*chemistry ; Antiviral Agents/Antiviral Agents/Antiviral Agents/*chemistry

• Source: ChemPlusChem [Chempluschem] 2021 Jul; Vol. 86 (7), pp. 972-981. Date of Electronic Publication: 2021 Feb 04.Publisher: Wiley-VCH Country of Publication: Germany NLM ID: 101580948 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2192-6506

Record details

Metal-Bound Methisazone; Novel Drugs Targeting Prophylaxis and Treatment of SARS-CoV-2, a Molecular Docking Study.

• Authors : Abdelaal Ahmed Mahmoud M Alkhatip A; Faculty of Medicine, Beni-Suef University, Beni Suef 62511, Egypt.; Birmingham Children's Hospital, Birmingham B4 6NH, UK.

Subjects: Molecular Docking Simulation*; Antiviral Agents/Antiviral Agents/Antiviral Agents/*chemistry ; Metals/Metals/Metals/*chemistry

• Source: International journal of molecular sciences [Int J Mol Sci] 2021 Mar 15; Vol. 22 (6). Date of Electronic Publication: 2021 Mar 15.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

Record details

Structure-Based Identification of Naphthoquinones and Derivatives as Novel Inhibitors of Main Protease Mpro and Papain-like Protease PLpro of SARS-CoV‑2

• Authors : Santos, Lucianna H; Kronenberger, Thales; Almeida, Renata G

Subjects: Medicinal and Biomolecular Chemistry; Chemical Sciences; Prevention

• Source: Journal of Chemical Information and Modeling. 62(24)

Record details

Identification of SARS-CoV-2 inhibitors targeting Mpro and PLpro using in-cell-protease assay

• Authors : Narayanan, Anoop; Narwal, Manju; Majowicz, Sydney A

Subjects: Infectious Diseases; Lung; Pneumonia

• Source: Communications Biology. 5(1)

Record details

Metal-Bound Methisazone; Novel Drugs Targeting Prophylaxis and Treatment of SARS-CoV-2, a Molecular Docking Study. ...

• Authors : Abdelaal Ahmed Mahmoud M Alkhatip, Ahmed; Georgakis, Michail; Montero Valenzuela, Lucio R

Subjects: COVID-19; SARS-CoV-2; molecular docking

Record details

Hydrogen bonding penalty used for virtual screening to discover potent inhibitors for Papain‐Like cysteine proteases of SARS‐CoV‐2

• Authors : Guangjian Zhao; Xiaochun Liu; Suyun Wang

Subjects: Molecular Docking Simulation; Pharmacology; SARS-CoV-2

• Source: Chemical Biology & Drug Design. 100:502-514

Record details

Repurposing the antibacterial drugs for inhibition of SARS-CoV2-PLpro using molecular docking, MD simulation and binding energy calculation

• Authors : Patel, Rohit; Prajapati, Jignesh; Rao, Priyashi

Subjects: SARS-CoV-2 novel corona virus; viruses; medicine.medical_treatment

• Source: Molecular Diversity

Record details

Discovery of the Cryptic Sites of SARS-CoV-2 Papain-like Protease and Analysis of Its Druggability

• Authors : Yue Qiu; Qing Liu; Gao Tu

Subjects: SARS-CoV-2; Organic Chemistry; Coronavirus Papain-Like Proteases

• Source: International Journal of Molecular Sciences; Volume 23; Issue 19; Pages: 11265

Record details

Parthenolide reveals an allosteric mode to inhibit the deISGylation activity of SARS-CoV‑2 papain-like protease

• Authors : Zhihui Zou; Huizhuang Shan; Demeng Sun

Subjects: SARS-CoV-2; Ubiquitin; Biophysics

• Source: Acta biochimica et biophysica Sinica. 54(8)

Record details