Discovery of potent maternal embryonic leucine zipper kinase (MELK) inhibitors of novel chemotypes using structure-based pharmacophores

Structure-based virtual screening of chemical libraries as potential MELK inhibitors and their therapeutic evaluation against breast cancer

(2023) Amiya Das et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Exploiting activity cliffs for building pharmacophore models and comparison with other pharmacophore generation methods: sphingosine kinase 1 as case study

(2022) Lubabah A. Mousa et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Ligand-Based Modeling of CXC Chemokine Receptor 4 and Identification of Inhibitors of Novel Chemotypes as Potential Leads towards New Anti-COVID-19 Treatments

(2022) Safa Daoud et al.   Medicinal Chemistry

Implications and efficacy of aromatase inhibitors in combination and monotherapy for the treatment of lung cancer

(2022) Bayan A. Rahal et al.   Anti-Cancer Agents in Medicinal Chemistry

Design, Synthesis, and Biological Evaluation of Novel MAO-A Inhibitors Targeting Lung Cancer

(2022) Sanaa Bardaweel et al.   MOLECULES

MELK is a prognostic biomarker and correlated with immune infiltration in glioma

(2022) Haiyan Yang et al.   Frontiers in Neurology

Structural classification of MELK inhibitors and prospects for the treatment of tumor resistance: A review

(2022) Ling Ren et al.   BIOMEDICINE & PHARMACOTHERAPY

Targeting Drug Chemo-Resistance in Cancer Using Natural Products

(2021) Wamidh H. Talib et al.   Biomedicines

An atlas of the protein-coding genes in the human, pig, and mouse brain

(2020) Evelina Sjöstedt et al.   SCIENCE

Investigation of binding characteristics of Phosphoinositide-dependent kinase-1 (PDK1) co-crystallized ligands through virtual pharmacophore modeling leading to novel anti – PDK1 hits

(2019) Iman A. Mansi et al.   Medicinal Chemistry

Inhibition of maternal embryonic leucine zipper kinase with OTSSP167 displays potent anti-leukemic effects in chronic lymphocytic leukemia

(2018) Ya Zhang et al.   ONCOGENE

Structure-based discovery of new maternal embryonic leucine zipper kinase inhibitors

(2018) Shu Zhou et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

The target landscape of clinical kinase drugs

(2017) Susan Klaeger et al.   SCIENCE

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

(2016) Areej Abuhammad 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

Recent Advances in Scaffold Hopping

(2016) Ye Hu et al.   JOURNAL OF MEDICINAL CHEMISTRY

OTSSP167 Abrogates Mitotic Checkpoint through Inhibiting Multiple Mitotic Kinases

(2016) Wenbin Ji et al.   PLoS One

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

Development of an orally-administrative MELK-targeting inhibitor that suppresses the growth of various types of human cancer

(2015) Suyoun Chung et al.   Oncotarget

Antioxidant, antimicrobial and antiproliferative activities of Anthemis palestina essential oil

(2014) Sanaa K Bardaweel et al.   BMC Complementary and Alternative Medicine

The future of crystallography in drug discovery

(2013) Heping Zheng et al.   Expert Opinion on Drug Discovery

Maternal Embryonic Leucine Zipper Kinase (MELK): A Novel Regulator in Cell Cycle Control, Embryonic Development, and Cancer

(2013) Pengfei Jiang et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Structure and Ligand Based Drug Design Strategies in the Development of Novel 5- LOX Inhibitors

(2012) Polamarasetty Aparoy et al.   CURRENT MEDICINAL CHEMISTRY

Pharmacophore Based Drug Design Approach as a Practical Process in Drug Discovery

(2010) Qingzhi Gao et al.   Current Computer-Aided Drug Design

Pharmacophore modeling and applications in drug discovery: challenges and recent advances

(2010) Sheng-Yong Yang   DRUG DISCOVERY TODAY

How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

(2009) Johannes Kirchmair et al.   Journal of Chemical Information and Modeling

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