Journal of chemical information and modeling
Jul 14, 2025
Microorganisms such as bacteria and fungi have been used for natural products that translate to drugs. However, assessing the bioactivity of extract from culture to identify novel natural molecules remains a strenuous process due to the cumbersome or...
Natural products (NPs) have long been recognized for their therapeutic potential, especially in cancer treatment, due to an ability to interact with multiple cellular pathways. The identification of molecular targets for NPs is a critical step in und...
INTRODUCTION: Juvenile Idiopathic Arthritis (JIA) is the most common chronic rheumatic disease in childhood. More therapeutic options are available for the treatment of JIA with more children achieving minimal active disease or inactive disease statu...
Parkinson's disease (PD) is characterised by a complex array of motor, psychiatric, and gastrointestinal symptoms, many of which are linked to disruptions in neuroactive metabolites. Dysregulated activity of tryptophan 2,3-dioxygenase (TDO), a key en...
Covering: 2000 to 2025This review explores the potential of artificial intelligence (AI) in addressing challenges and accelerating molecular insights in biosynthetic pathway research, which is crucial for developing bioactive natural products with ap...
The eXchange Unit between Thiolation domains approach and artificial intelligence (AI)-driven tools like Synthetic Intelligence are transforming nonribosomal peptide synthetase and polyketide synthase engineering, enabling the creation of novel bioac...
Integrative biology : quantitative biosciences from nano to macro
Jan 8, 2025
Neurodegenerative disorders are characterised by progressive damage to neurons that leads to cognitive impairment and motor dysfunction. Current treatment options focus only on symptom management and palliative care, without addressing their root cau...
Combinatorial chemistry & high throughput screening
Jan 1, 2025
AIMS: Employing the technique of liquid chromatography-mass spectrometry (LCMS) in conjunction with artificial intelligence (AI) technology to predict and screen for antirheumatoid arthritis (RA) active compounds in Xanthocerais lignum.
Natural products (NPs) are indispensable in drug development, particularly in combating infections, cancer, and neurodegenerative diseases. However, their limited availability poses significant challenges. Template-free de novo biosynthetic pathway d...
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