Multi-combined 3D-QSAR, docking molecular and ADMET prediction of 5-azaindazole derivatives as LRRK2 tyrosine kinase inhibitors-Reference-Cited by-同舟云学术

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Multi-combined 3D-QSAR, docking molecular and ADMET prediction of 5-azaindazole derivatives as LRRK2 tyrosine kinase inhibitors

Published:2020-09-23 Issue:3 Volume:40 Page:1285-1298
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Khamouli Saida¹,Belaidi Salah¹^ORCID,Ouassaf Mebarka¹,Lanez Touhami²^ORCID,Belaaouad Said³,Chtita Samir³^ORCID

Affiliation:

1. Group of Computational and Medicinal Chemistry, LMCE Laboratory, University of Biskra, Biskra, Algeria

2. VTRS Laboratory, Faculty of Sciences and Technology, University of El Oued, El Oued, Algeria

3. Laboratory of Physical Chemistry of Materials, Faculty of Sciences Ben M’Sik, Hassan II University of Casablanca, Sidi Othman, Casablanca, Morocco

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1824815

Reference44 articles.

1. Virtual screening, Docking, ADMET and System Pharmacology studies on Garcinia caged Xanthone derivatives for Anticancer activity

2. Furanone derivatives as new inhibitors of CDC7 kinase: development of structure activity relationship model using 3D QSAR, molecular docking, and in silico ADMET

3. Structural basis of pyrazolopyrimidine derivatives as CAMKIIδ kinase inhibitors: insights from 3D QSAR, docking studies and in silico ADMET evaluation

4. Molecular Docking and 3D-QSAR Studies on 7-azaindole Derivatives as Inhibitors of Trk A: A Strategic Design in Novel Anticancer Agents

5. New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

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4. Molecular structure prediction, experimental and theoretical properties, and biological activities of (E)-5-nitro-3-(phenylimino) indolin-2-one- in-vitro against 60 lethal tumour cell lines;Journal of Molecular Structure;2024-06

5. Computational studies of pyrimidine derivatives as inhibitors of human σ1 receptor using 3D-QSAR analysis, molecular docking, ADMET properties and DFT investigation;Chemical Physics Impact;2024-06

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