Results 21 to 30 of about 6,006,073 (362)
TCMSP: a database of systems pharmacology for drug discovery from herbal medicines
Journal of Cheminformatics, 2014 BackgroundModern medicine often clashes with traditional medicine such as Chinese herbal medicine because of the little understanding of the underlying mechanisms of action of the herbs. In an effort to promote integration of both sides and to accelerate
Jinlong Ru +13 more
semanticscholar +1 more source
Rapid Discovery of Potent and Selective Glycosidase-Inhibiting De Novo Peptides [PDF]
, 2017 Human pancreatic α-amylase (HPA) is responsible for degrading starch to malto-oligosaccharides, thence to glucose, and is therefore an attractive therapeutic target for the treatment of diabetes and obesity.
Tysoe, Christina +7 more
core +1 more source
Full-length in meso structure and mechanism of rat kynurenine 3-monooxygenase inhibition
Communications Biology, 2021 Mimasu et al. report a rat full-length structure of kynurenine 3-monooxygenase (KMO) in its membrane-embedded form, complexed with two inhibitors. They find that the dimeric interface of KMO is critical for its activity. This study provides insights into
Shinya Mimasu +10 more
doaj +1 more source
Computer-Aided Drug Design and Drug Discovery: A Prospective Analysis
Pharmaceuticals, 2023 In the dynamic landscape of drug discovery, Computer-Aided Drug Design (CADD) emerges as a transformative force, bridging the realms of biology and technology.
Sarfaraz K. Niazi, Zamara Mariam
semanticscholar +1 more source
Computational drug discovery [PDF]
Acta Pharmacologica Sinica, 2012 Computational drug discovery is an effective strategy for accelerating and economizing drug discovery and development process. Because of the dramatic increase in the availability of biological macromolecule and small molecule information, the applicability of computational drug discovery has been extended and broadly applied to nearly every stage in ...
Si-Sheng, Ou-Yang +5 more
openaire +2 more sources
Macrocycles in Drug Discovery—Learning from the Past for the Future
Journal of Medicinal Chemistry, 2023 We have analyzed FDA-approved macrocyclic drugs, clinical candidates, and the recent literature to understand how macrocycles are used in drug discovery.
Diego García Jiménez +2 more
semanticscholar +1 more source
Cheminformatics Models for Inhibitors of Schistosoma mansoni Thioredoxin Glutathione Reductase
The Scientific World Journal, 2014 Schistosomiasis is a neglected tropical disease caused by a parasite Schistosoma mansoni and affects over 200 million annually. There is an urgent need to discover novel therapeutic options to control the disease with the recent emergence of drug ...
Sonam Gaba +3 more
doaj +1 more source
Artificial intelligence for drug discovery: Resources, methods, and applications
Molecular Therapy: Nucleic Acids, 2023 Conventional wet laboratory testing, validations, and synthetic procedures are costly and time-consuming for drug discovery. Advancements in artificial intelligence (AI) techniques have revolutionized their applications to drug discovery.
Wei Chen +3 more
semanticscholar +1 more source
RSC Medicinal Chemistry, 2020 Innovations in mycobacterial drug discovery to accelerate the identification of new drug candidates with confirmed targets and whole cell activity.
Katherine A. Abrahams, Gurdyal S. Besra
openaire +3 more sources
The power of the web in cancer drug discovery and clinical trial design: research without a laboratory? [PDF]
, 2010 The discovery of effective cancer treatments is a key goal for pharmaceutical companies. However, the current costs of bringing a cancer drug to the market in the USA is now estimated at $1 billion per FDA approved drug, with many months of research at ...
Galustian, C +5 more
core +1 more source