AIMC Topic: Tubulin

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Macrophage mitophagy-related genes predict prognosis and therapeutic response in lung adenocarcinoma.

Scientific reports
Mitochondrial autophagy (mitophagy) in macrophages is crucial yet poorly understood within the lung adenocarcinoma (LUAD) tumor microenvironment. This study aimed to identify key macrophage mitophagy-related genes and develop a robust prognostic mode...

Structure based drug design and machine learning approaches for identifying natural inhibitors against the human αβIII tubulin isotype.

Scientific reports
Microtubules (MTs) play a crucial role in mitosis and are composed of α-/β-tubulin heterodimeric subunits. In eukaryotes, eight α-tubulin and ten β-tubulin isotypes have been reported, each displaying tissue-specific expression patterns. Among them, ...

Discovery of Novel 4,5-Dihydropyrrolo[3,4-]pyrazol-6()-one-Based Tubulin Inhibitors Targeting Colchicine Binding Site with Potent Anti-Ovarian Cancer Activity.

Journal of medicinal chemistry
To address the toxicity of current microtubule inhibitors, we employed the GeminiMol deep learning model to screen the Zinc20 database, identifying a novel 4,5-dihydropyrrolo[3,4-]pyrazol-6(2)-one scaffold () targeting the colchicine binding site. Su...

Retrospective Benchmarking and Novel Shape-Pharmacophore Based Implementation of the MORLD Method for the Autonomous Optimization of 3-Aroyl-1,4-diarylpyrroles (ARDAP).

Journal of chemical information and modeling
The use of artificial intelligence (AI) is increasingly integral to the drug-discovery process, and among AI-driven methodologies, deep generative models stand out as one of the most promising approaches for hit identification and optimization. Here,...

Novel anoikis-related diagnostic biomarkers for aortic dissection based on machine learning.

Scientific reports
Aortic dissection (AD) is one of the most dangerous diseases of the cardiovascular system, which is characterized by acute onset and poor prognosis, while the pathogenesis of AD is still unclear and may affect or even delay the diagnosis of AD. Ancho...

Bound ion effects: Using machine learning method to study the kinesin Ncd's binding with microtubule.

Biophysical journal
Drosophila Ncd proteins are motor proteins that play important roles in spindle organization. Ncd and the tubulin dimer are highly charged. Thus, it is crucial to investigate Ncd-tubulin dimer interactions in the presence of ions, especially ions tha...

Development of a proteochemometric-based support vector machine model for predicting bioactive molecules of tubulin receptors.

Molecular diversity
Microtubules are receiving enormous interest in drug discovery due to the important roles they play in cellular functions. Targeting tubulin polymerization presents an excellent opportunity for the development of anti-tubulin drugs. Drug resistance a...

Molecular identification and in vitro antifungal susceptibility of Scedosporium complex isolates from high-human-activity sites in Mexico.

Mycologia
The genus Scedosporium is a complex of ubiquitous moulds associated with a wide spectrum of clinical entities, with high mortality principally in immunocompromised hosts. Ecology of these microorganisms has been studied performing isolations from env...

Effect of dacarbazine on CD44 in live melanoma cells as measured by atomic force microscopy-based nanoscopy.

International journal of nanomedicine
CD44 ligand-receptor interactions are known to be involved in regulating cell migration and tumor cell metastasis. High expression levels of CD44 correlate with a poor prognosis of melanoma patients. In order to understand not only the mechanistic ba...

In silico design strategies for tubulin inhibitors for the development of anticancer therapies.

Expert opinion on drug discovery
INTRODUCTION: Microtubules, composing of α, β-tubulin dimers, are important for cellular processes like proliferation and transport, thereby they become suitable targets for research in cancer. Existing candidates often exhibit off-target effects, ne...