AIMC Topic: Antineoplastic Agents

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Predicting bone cancer drugs properties through topological indices and machine learning.

Scientific reports
Chemical graph theory and topological indices are key tools in the study of molecular structures and their properties. This research explores anticancer drugs using neighborhood degree-based topological indices and compares their efficacy through reg...

Radiomics early assessment of post chemotherapy cardiotoxicity in cancer patients using 2D echocardiography imaging an interpretable machine learning study.

Scientific reports
Cardiotoxicity is the loss of the heart muscle's ability to contract effectively, often due to chemotherapy or radiation therapy. This study uses interpretable machine learning to predict post-chemotherapy cardiotoxicity using radiomics features extr...

Harnessing artificial intelligence to identify Bufalin as a molecular glue degrader of estrogen receptor alpha.

Nature communications
Target identification in natural products plays a critical role in the development of innovative drugs. Bufalin, a compound derived from traditional medicines, has shown promising anti-cancer activity; however, its precise molecular mechanism of acti...

Unveiling anticancer peptides; from the mechanisms of action to their development through artificial intelligence.

European journal of pharmacology
Cancer is a leading cause of death worldwide and a major burden on the healthcare system. Current treatment methods are limited as they have low selectivity, unspecific targeting and increasing multidrug resistance. Therefore, newer modes of therapeu...

Multiphysics modelling enhanced by imaging and artificial intelligence for personalised cancer nanomedicine: Foundations for clinical digital twins.

Journal of controlled release : official journal of the Controlled Release Society
Nano-sized drug delivery systems have emerged as a more effective, versatile means for improving cancer treatment. However, the complexity of drug delivery to cancer involves intricate interactions between physiological and physicochemical processes ...

Ligand supplementation restores the cancer therapy efficacy of the antirheumatic drug auranofin from serum inactivation.

Nature communications
Auranofin, an FDA-approved antirheumatic gold drug, has gained ongoing interest in clinical studies for treating advanced or recurrent tumors. However, gold ion's dynamic thiol exchange nature strongly attenuates its bioactivity due to the fast forma...

Deep learning model enables the discovery of a novel BET inhibitor YD-851.

Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie
BET inhibitor is a novel strategy in tumor therapy based on targeting epigenetic mechanism. In recent decades, dozens of clinical trials have been conducted to validate the potential efficacy of the first-generation BET inhibitors in refractory cance...

Navigating the future of oncology: the transformative role of microrobots in precision cancer therapy.

International journal of pharmaceutics
Systemic chemotherapy has long served as a cornerstone in the management of various malignancies. However, its inherent lack of specificity often leads to significant adverse effects, prompting the exploration of innovative nanomedicine strategies to...

Personalizing cancer therapy: the role of pharmacogenetics in overcoming drug resistance and toxicity.

Molecular biology reports
Cancer pharmacogenetics has become a cornerstone of precision oncology. It offers the potential to optimize therapeutic outcomes by tailoring treatments to individual genetic profiles. This review explores the central role of pharmacogenomics in addr...