AIMC Topic: Protein-Tyrosine Kinases

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Drug repurposing identifies novel Wee1 kinase inhibitors for triple negative breast cancer therapeutics.

European journal of medicinal chemistry
Triple-negative breast cancer (TNBC) is an aggressive subtype of breast cancer with limited treatment options. Wee1 kinase, a critical regulator of the G2/M checkpoint and DNA replication, is a promising therapeutic target. However, dose dependent as...

Identification of novel DYRK1A inhibitors as treatment options for alzheimer's disease through comprehensive in silico approaches.

Scientific reports
This study aims to identify potential DYRK1A inhibitors from a curated database and utilize a QSAR model to predict the bioactivity of drug compounds in inhibiting the enzyme involved in tau protein oligomerization, a key process in AD pathology. 192...

A high-resolution, nanopore-based artificial intelligence assay for DNA replication stress in human cancer cells.

Nature communications
DNA replication stress is a hallmark of cancer that is exploited by chemotherapies. Current assays for replication stress have low throughput and poor resolution whilst being unable to map the movement of replication forks genome-wide. We present a n...

Integrated AI and machine learning pipeline identifies novel WEE1 kinase inhibitors for targeted cancer therapy.

Molecular diversity
The dysregulation of the cell cycle in cancer underscores the therapeutic potential of targeting WEE1 kinase, a key regulator of the G2/M checkpoint. This study harnessed artificial intelligence (AI)-driven methodologies, particularly the MORLD platf...

Wee1 inhibitor optimization through deep-learning-driven decision making.

European journal of medicinal chemistry
Deep learning has gained increasing attention in recent years, yielding promising results in hit screening and molecular optimization. Herein, we employed an efficient strategy based on multiple deep learning techniques to optimize Wee1 inhibitors, w...

Using machine learning to dissect host kinases required for Leishmania internalization and development.

Molecular and biochemical parasitology
The Leishmania life cycle alternates between promastigotes, found in the sandfly, and amastigotes, found in mammals. When an infected sandfly bites a host, promastigotes are engulfed by phagocytes (i.e., neutrophils, dendritic cells, and macrophages)...

Naturally occurring caffeic acid phenethyl ester from chestnut honey-based propolis and virtual screening towards DYRK1A.

Natural product research
Neurodegenerative diseases (NDDs) are disorders with dysfunction and ongoing loss of neurons, glial cells and the neural networks in the brain and spinal cord. DYRK1A protein was reported to modulate to the cytoskeletal fraction in human and mouse br...

Direct identification of ALK and ROS1 fusions in non-small cell lung cancer from hematoxylin and eosin-stained slides using deep learning algorithms.

Modern pathology : an official journal of the United States and Canadian Academy of Pathology, Inc
Anaplastic lymphoma kinase (ALK) and ROS oncogene 1 (ROS1) gene fusions are well-established key players in non-small cell lung cancer (NSCLC). Although their frequency is relatively low, their detection is important for patient care and guides thera...