In silico drug discovery of IKK-β inhibitors from 2-amino-3-cyano-4-alkyl-6-(2-hydroxyphenyl) pyridine derivatives based on QSAR, docking, molecular dynamics and drug-likeness evaluation studies-Reference-Cited by-同舟云学术

In silico drug discovery of IKK-β inhibitors from 2-amino-3-cyano-4-alkyl-6-(2-hydroxyphenyl) pyridine derivatives based on QSAR, docking, molecular dynamics and drug-likeness evaluation studies

Published:2020-09-18 Issue:2 Volume:40 Page:886-902
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Hammoudi Nour-El-Houda¹²,Benguerba Yacine¹^ORCID,Attoui Ayoub¹³,Hognon Cecilia⁴,Lemaoui Tarek¹,Sobhi Widad³,Benaicha Mohamed²,Badawi Michael⁴,Monari Antonio⁴

Affiliation:

1. Laboratoire des Matériaux Polymères Multiphasiques, LMPMP, Université Ferhat ABBAS Sétif-1, Sétif, Algeria

2. Energetics and Solid-State Electrochemistry Laboratory (LEES), Processes Engineering Department, Faculty of Technology, Ferhat Abbas-Setif1 University, Setif, Algeria

3. Laboratoire de Biochimie Appliquée, Université Ferhat ABBAS Sétif-1, Sétif, Algeria

4. Laboratoire de Physique et Chimie Théoriques, UMR CNRS 7019, Université de Lorraine, Nancy, France

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1819878

Reference60 articles.

1. QSAR Modeling and Molecular Docking Analysis of Some Active Compounds against Mycobacterium tuberculosis Receptor (Mtb CYP121)

2. A novel QSAR model for predicting the inhibition of CXCR3 receptor by 4-N-aryl-[1,4] diazepane ureas

3. Chemical Reactivity, Drug-Likeness and Structure Activity/Property Relationship Studies of 2,1,3-Benzoxadiazole Derivatives as Anti-Cancer Activity