Structure-Based Discovery and Bioactivity Evaluation of Novel Aurora-A Kinase Inhibitors as Anticancer Agents via Docking-Based Comparative Intermolecular Contacts Analysis (dbCICA).

Hijjawi, Majd S; Abutayeh, Reem Fawaz; Taha, Mutasem O

Hijjawi, Majd S; Abutayeh, Reem Fawaz; Taha, Mutasem O.

Affiliation

Hijjawi MS; Department of Pharmacology, Faculty of Medicine, The University of Jordan, Amman 11942, Jordan.
Abutayeh RF; Department of Pharmaceutical Chemistry and Pharmacognosy, Faculty of Pharmacy, Applied Science Private University, Amman 11931, Jordan.
Taha MO; Department of Pharmaceutical Sciences, Faculty of Pharmacy, University of Jordan, Amman 11942, Jordan.

Molecules ; 25(24)2020 Dec 18.

Article in En | MEDLINE | ID: mdl-33353031

Subject(s)

Antineoplastic Agents/pharmacology; Aurora Kinase A/antagonists & inhibitors; Drug Discovery; Protein Kinase Inhibitors/pharmacology; Antineoplastic Agents/chemical synthesis; Antineoplastic Agents/chemistry; Aurora Kinase A/metabolism; Cell Proliferation/drug effects; Dose-Response Relationship, Drug; Drug Screening Assays, Antitumor; Humans; Models, Molecular; Molecular Structure; Protein Kinase Inhibitors/chemical synthesis; Protein Kinase Inhibitors/chemistry; Structure-Activity Relationship; Tumor Cells, Cultured

Key words

AURKA; Aurora-A kinase; MDA-MB-231; MTT assay; PANC1; PC-3; T-47D; aurora inhibitors; docking-based comparative intermolecular contacts analysis; in-silico screening; molecular docking; structure-based drug design

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Protein Kinase Inhibitors / Drug Discovery / Aurora Kinase A / Antineoplastic Agents Type of study: Prognostic_studies Limits: Humans Language: En Journal: Molecules Journal subject: BIOLOGIA Year: 2020 Document type: Article Affiliation country: Jordan Country of publication: Switzerland

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