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

Discovery of novel Flt3 inhibitory chemotypes through extensive ligand-based and new structure-based pharmacophore modelling methods

(2019) Reem Fawaz Abutayeh et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Discovery of new JNK3 inhibitory chemotypes via QSAR-Guided selection of docking-based pharmacophores and comparison with other structure-based pharmacophore modeling methods

(2019) Ghada Omar Tuffaha et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Aurora-a confers radioresistance in human hepatocellular carcinoma by activating NF-κB signaling pathway

(2019) Ze-Tian Shen et al.   BMC CANCER

Discovery of new Gyrase β inhibitors via structure based modeling

(2018) Afaf H. Al-Nadaf et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Combining Stochastic Deformation/Relaxation and Intermolecular Contacts Analysis for Extracting Pharmacophores from Ligand–Receptor Complexes

(2018) Ma’mon M. Hatmal et al.   Journal of Chemical Information and Modeling

A comprehensive review on Aurora kinase: Small molecule inhibitors and clinical trial studies

(2017) Ankit C. Borisa et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Computational modeling of the bat HKU4 coronavirus 3CLpro inhibitors as a tool for the development of antivirals against the emerging Middle East respiratory syndrome (MERS) coronavirus

(2017) Areej Abuhammad et al.   JOURNAL OF MOLECULAR RECOGNITION

Docking-based comparative intermolecular contacts analysis and in silico screening reveal new potent acetylcholinesterase inhibitors

(2017) Maha Habash et al.   MEDICINAL CHEMISTRY RESEARCH

Innovative computer-aided methods for the discovery of new kinase ligands

(2016) Areej Abuhammad et al.   Future Medicinal Chemistry

Computer-aided discovery of new FGFR-1 inhibitors followed by in vitro validation

(2016) Shada J Alabed et al.   Future Medicinal Chemistry

Discovery of new heat shock protein 90 inhibitors using virtual co-crystallized pharmacophore generation

(2016) Mahmoud A. Al-Sha'er et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Aurora-A Kinase: A Potent Oncogene and Target for Cancer Therapy

(2016) Min Yan et al.   MEDICINAL RESEARCH REVIEWS

Antimitotic drugs in the treatment of cancer

(2015) Rustelle Janse van Vuuren et al.   CANCER CHEMOTHERAPY AND PHARMACOLOGY

Structural Biology Insight for the Design of Sub-type Selective Aurora Kinase Inhibitors

(2015) Sailu Sarvagalla et al.   CURRENT CANCER DRUG TARGETS

Combining docking-based comparative intermolecular contacts analysis and k-nearest neighbor correlation for the discovery of new check point kinase 1 inhibitors

(2015) Nour Jamal Jaradat et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Evaluation of novel Akt1 inhibitors as anticancer agents using virtual co-crystallized pharmacophore generation

(2015) Mahmoud A. Al-Sha’er et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

MLN8054 and Alisertib (MLN8237): Discovery of Selective Oral Aurora A Inhibitors

(2015) Todd B. Sells et al.   ACS Medicinal Chemistry Letters

A Cell Biologist’s Field Guide to Aurora Kinase Inhibitors

(2015) Christian O. de Groot et al.   Frontiers in Oncology

Aurora kinase a suppresses metabolic stress-induced autophagic cell death by activating mTOR signaling in breast cancer cells

(2015) Ling-Zhi Xu et al.   Oncotarget

The selective Aurora-A kinase inhibitor MLN8237 (alisertib) potently inhibits proliferation of glioblastoma neurosphere tumor stem-like cells and potentiates the effects of temozolomide and ionizing radiation

(2014) Xin Hong et al.   CANCER CHEMOTHERAPY AND PHARMACOLOGY

Hesperidin induces apoptosis and triggers autophagic markers through inhibition of Aurora-A mediated phosphoinositide-3-kinase/Akt/mammalian target of rapamycin and glycogen synthase kinase-3 beta signalling cascades in experimental colon carcinogenesis

(2014) Gowrikumar Saiprasad et al.   EUROPEAN JOURNAL OF CANCER

The use of docking-based comparative intermolecular contacts analysis to identify optimal docking conditions within glucokinase and to discover of new GK activators

(2014) Mutasem O. Taha et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Radiotherapy Followed by Aurora Kinase Inhibition Targets Tumor-Propagating Cells in Human Glioblastoma

(2014) N. Li et al.   MOLECULAR CANCER THERAPEUTICS

A Novel Small Molecule Aurora Kinase Inhibitor Attenuates Breast Tumor-Initiating Cells and Overcomes Drug Resistance

(2014) F.-M. Zheng et al.   MOLECULAR CANCER THERAPEUTICS

Differential sensitivity of Glioma stem cells to Aurora kinase A inhibitors: Implications for stem cell mitosis and centrosome dynamics

(2014) Mariella Mannino et al.   Stem Cell Research

Pin1 acts as a negative regulator of the G2/M transition by interacting with the Aurora-A-Bora complex

(2013) Y.-C. Lee et al.   JOURNAL OF CELL SCIENCE

Elaborate Ligand-Based Modeling Coupled with Multiple Linear Regression and k Nearest Neighbor QSAR Analyses Unveiled New Nanomolar mTOR Inhibitors

(2013) Mohammad A. Khanfar et al.   Journal of Chemical Information and Modeling

The mitotic kinase Aurora-A promotes distant metastases by inducing epithelial-to-mesenchymal transition in ERα+ breast cancer cells

(2013) A B D'Assoro et al.   ONCOGENE

Aurora kinase A inhibition-induced autophagy triggers drug resistance in breast cancer cells

(2012) Zhengzhi Zou et al.   Autophagy

Application of docking-based comparative intermolecular contacts analysis to validate Hsp90α docking studies and subsequent in silico screening for inhibitors

(2012) Mahmoud A. Al-Sha’er et al.   JOURNAL OF MOLECULAR MODELING

Aurora-A promotes gefitinib resistance via a NF-κB signaling pathway in p53 knockdown lung cancer cells

(2011) Chun Chi Wu et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Inhibition of Aurora-A kinase induces cell cycle arrest in epithelial ovarian cancer stem cells by affecting NFĸB pathway

(2011) Ilana Chefetz et al.   CELL CYCLE

Characterization of Alisertib (MLN8237), an Investigational Small-Molecule Inhibitor of Aurora A Kinase Using Novel In Vivo Pharmacodynamic Assays

(2011) M. G. Manfredi et al.   CLINICAL CANCER RESEARCH

Docking-Based Comparative Intermolecular Contacts Analysis as New 3-D QSAR Concept for Validating Docking Studies and in Silico Screening: NMT and GP Inhibitors as Case Studies

(2011) Mutasem O. Taha et al.   Journal of Chemical Information and Modeling

Inhibition of mitotic kinase Aurora suppresses Akt-1 activation and induces apoptotic cell death in all-trans retinoid acid-resistant acute promyelocytic leukemia cells

(2011) Duo-Rong Xu et al.   Journal of Translational Medicine

Aurora Kinase A Promotes Ovarian Tumorigenesis through Dysregulation of the Cell Cycle and Suppression of BRCA2

(2010) G. Yang et al.   CLINICAL CANCER RESEARCH

QM/MM Approaches in Medicinal Chemistry Research

(2010) Lochana Menikarachchi et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Discovery ofN-Phenyl-4-(thiazol-5-yl)pyrimidin-2-amine Aurora Kinase Inhibitors

(2010) Shudong Wang et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of GSK1070916, a Potent and Selective Inhibitor of Aurora B/C Kinase

(2010) Nicholas D. Adams et al.   JOURNAL OF MEDICINAL CHEMISTRY

Aurora Kinase Inhibitors - Rising Stars in Cancer Therapeutics?

(2010) A. A. Dar et al.   MOLECULAR CANCER THERAPEUTICS

Biochemical characterization of GSK1070916, a potent and selective inhibitor of Aurora B and Aurora C kinases with an extremely long residence time1

(2009) Kelly Anderson et al.   BIOCHEMICAL JOURNAL

The discovery of the potent aurora inhibitor MK-0457 (VX-680)

(2009) David Bebbington et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Aurora A Regulates Prometaphase Progression by Inhibiting the Ability of RASSF1A to Suppress APC-Cdc20 Activity

(2009) S. J. Song et al.   CANCER RESEARCH

Aurora kinase inhibitors

(2009) J.J.E.M. Kitzen et al.   CRITICAL REVIEWS IN ONCOLOGY HEMATOLOGY

Computational Intelligence Methods for Docking Scores

(2009) David Hecht et al.   Current Computer-Aided Drug Design

Making the Auroras glow: regulation of Aurora A and B kinase function by interacting proteins

(2009) Mar Carmena et al.   CURRENT OPINION IN CELL BIOLOGY

Discovery and Development of Aurora Kinase Inhibitors as Anticancer Agents

(2009) John R. Pollard et al.   JOURNAL OF MEDICINAL CHEMISTRY

Aurora-A down-regulates IkappaBα via Akt activation and interacts with insulin-like growth factor-1 induced phosphatidylinositol 3-kinase pathway for cancer cell survival

(2009) Jin-e Yao et al.   Molecular Cancer

Aurora kinase A inhibitors: Identification, SAR exploration and molecular modeling of 6,7-dihydro-4H-pyrazolo-[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione scaffold

(2008) Mohane Selvaraj Coumar et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Inhibition of Aurora-A suppresses epithelial–mesenchymal transition and invasion by downregulating MAPK in nasopharyngeal carcinoma cells

(2008) Xiang-Bo Wan et al.   CARCINOGENESIS

The challenge of selecting protein kinase assays for lead discovery optimization

(2008) Haiching Ma et al.   Expert Opinion on Drug Discovery

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?

(2008) Johannes Kirchmair et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Computer-aided drug discovery and development (CADDD): In silico-chemico-biological approach

(2006) I.M. Kapetanovic   CHEMICO-BIOLOGICAL INTERACTIONS