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Exploring Polypharmacology in Drug Design
Nowadays it is widely accepted that one compound can be able to hit several targets at once. This “magic shotgun” approach for drug development...
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Artificial Intelligence and Its Applications in Drug Discovery, Formulation Development, and Healthcare
Artificial intelligence (AI) is a vast multidisciplinary field which equip machines with cognitive powers like ability to perceive reason, learn,...
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Role of Network Pharmacology in Prediction of Mechanism of Neuroprotective Compounds
Network pharmacology is an emerging pioneering approach in the drug discovery process, which is used to predict the therapeutic mechanism of...
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Antiviral Phytocompounds Against Animal-to-Human Transmittable SARS-CoV-2
Pandemics of lethal coronaviruses have created huge challenges to healthcare systems over the last few years. The fast proliferation of severe acute...
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Targeting purinergic receptors to attenuate inflammation of dry eye
Inflammation is one of the potential factors to cause the damage of ocular surface in dry eye disease (DED). Increasing evidence indicated that...
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Network-Driven Drug Discovery
We describe an approach to early stage drug discovery that explicitly engages with the complexities of human biology. The combined computational and...
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Network-Based Target Identification
Target identification may help to find potential therapeutic or adverse effects for active compounds and further optimize the structures of these...
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Meeting the Unmet Challenges of Pharmaceutical Research Using Artificial Intelligence
Over the last decade, artificial intelligence (AI) has piqued attention in the various areas of robotics, healthcare, E-commerce, and so on. But the...
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Pharmacologically significant constituents collectively responsible for anti-sepsis action of XueBi**g, a Chinese herb-based intravenous formulation
Sepsis, a life-threatening health issue, lacks effective medicine targeting the septic response. In China, treatment combining the intravenous herbal...
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Image-based profiling for drug discovery: due for a machine-learning upgrade?
Image-based profiling is a maturing strategy by which the rich information present in biological images is reduced to a multidimensional profile, a...
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Mannose: a potential saccharide candidate in disease management
There are a plethora of antibiotic resistance cases and humans are marching towards another big survival test of evolution along with drastic climate...
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Effects of site-directed mutagenesis of GLP-1 and glucagon receptors on signal transduction activated by dual and triple agonists
The paradigm of one drug against multiple targets, known as unimolecular polypharmacology, offers the potential to improve efficacy while overcoming...
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Kinase drug discovery 20 years after imatinib: progress and future directions
Protein kinases regulate nearly all aspects of cell life, and alterations in their expression, or mutations in their genes, cause cancer and other...
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The state of the art in secondary pharmacology and its impact on the safety of new medicines
Secondary pharmacology screening of investigational small-molecule drugs for potentially adverse off-target activities has become standard practice...
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Artificial Intelligence in Drug Discovery and Development
Recently, machine learning (ML) and artificial intelligence (AI) have gained popularity in the healthcare sector. In the field of drug discovery and...
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Application of Artificial Intelligence and Machine Learning in Drug Discovery
Machine Learning (ML) and Deep Learning (DL) are two subclasses of Artificial Intelligence (AI), that, in this day and age of big data provides...
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Gene set enrichment analysis, network pharmacology and in silico docking approach to understand the molecular mechanism of traditional medicines for the treatment of diabetes mellitus
Herbal constituents, present in most traditional medicines, are known to act on multiple targets and exert therapeutic activities but often lack...
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Bionoi: A Voronoi Diagram-Based Representation of Ligand-Binding Sites in Proteins for Machine Learning Applications
Bionoi is a new software to generate Voronoi representations of ligand-binding sites in proteins for machine learning applications. Unlike many other...
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Potential of Artificial Intelligence to Accelerate Drug Development for Rare Diseases
The growth in breadth and depth of artificial intelligence (AI) applications has been fast, running hand in hand with the increasing amount of...
