In silico screening of a series of 1,6-disubstituted 1H-pyrazolo[3,4-d]pyrimidines as potential selective inhibitors of the Janus kinase 3

Author:

Faris Abdelmoujoud1ORCID,Hadni Hanine1ORCID,Saleh Basil A.2ORCID,Khelfaoui Hadjer3ORCID,Harkati Dalal3ORCID,Ait Ahsaine Hassan4ORCID,Elhallaoui Menana1ORCID,El-Hiti Gamal A.5ORCID

Affiliation:

1. LIMAS, Faculty of Sciences Dhar El Mahraz, Sidi Mohamed Ben Abdellah University, Fez, Morocco

2. Department of Chemistry, College of Science, University of Basrah, Basrah, Iraq

3. Group of Computational and Pharmaceutical Chemistry, LMCE Laboratory, Faculty of Exact and Natural Sciences, Department of Matter Sciences, University of Biskra, Biskra, Algeria

4. Laboratoire de Chimie Appliquée des Matériaux, Faculty of Sciences, Mohammed V University, Rabat, Morocco

5. Department of Optometry, College of Applied Medical Sciences, King Saud University, Riyadh, Saudi Arabia

Funder

King Saud University

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Reference75 articles.

1. In Silico Pesticide Discovery for New Anti-Tobacco Mosaic Virus Agents: Reactivity, Molecular Docking, and Molecular Dynamics Simulations

2. Abraham, M. J., Murtola, T., Schulz, R., et al. (2019). GROMACS user manual version 2019.2. GROMACS Development Team. http://manual.gromacs.org/documentation/2019.2/index.html

3. Diagnosis and Management of Rheumatoid Arthritis

4. Gabedit-A graphical user interface for computational chemistry softwares

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