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Data-mining of potential antitubercular activities from molecular ingredients of traditional Chinese medicines [PDF]
PeerJ, 2014 Background. Traditional Chinese medicine encompasses a well established alternate system of medicine based on a broad range of herbal formulations and is practiced extensively in the region for the treatment of a wide variety of diseases. In recent years,
Salma Jamal +2 more
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Identification of the first highly selective inhibitor of human lactate dehydrogenase B
Scientific Reports, 2021 Lactate dehydrogenase (LDH) catalyses the conversion of pyruvate to lactate and NADH to NAD+; it has two isoforms, LDHA and LDHB. LDHA is a promising target for cancer therapy, whereas LDHB is necessary for basal autophagy and cancer cell proliferation ...
Sachio Shibata +8 more
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UnCorrupt SMILES: a novel approach to de novo design
Journal of Cheminformatics, 2023 Generative deep learning models have emerged as a powerful approach for de novo drug design as they aid researchers in finding new molecules with desired properties.
Linde Schoenmaker +3 more
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Antibiotic drug discovery [PDF]
Microbial Biotechnology, 2016 Summary Due to the threat posed by the increase of highly resistant pathogenic bacteria, there is an urgent need for new antibiotics; all the more so since in the last 20 years, the approval for new antibacterial agents had decreased. The field of natural product discovery has undergone a tremendous development over the past few years.
Wohlleben, Wolfgang +3 more
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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
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Scientific Reports, 2021 Accumulation of tau protein is a key pathology of age-related neurodegenerative diseases such as Alzheimer's disease and progressive supranuclear palsy. Those diseases are collectively termed tauopathies.
Tomohiro Onishi +8 more
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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
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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
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Anticancer Drug Discovery [PDF]
JNCI Journal of the National Cancer Institute, 1991 The National Cancer Institute's (NCI's) human tumor cell line panel for screening potential new anticancer drugs is now operational (/). Its implementation and the demonstration of its feasibility represent a technical and organizational tour de force.
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Scientific Reports, 2021 Activation of the tyrosine kinase with Ig and epidermal growth factor homology domain 2 (Tie2) receptor by angiopoietin-1 (Ang1) is critical for vascular stabilization: it promotes survival signal transduction via auto-phosphorylation and reduces ...
Yukari Koya +4 more
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