Results 1 to 10 of about 1,359,668 (353)

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, Vinod Scaria, Open Source Drug Discovery Consortium   +2 more
doaj   +2 more sources

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, Satoshi Sogabe, Masanori Miwa, Takuya Fujimoto, Nobuyuki Takakura, Akihiko Naotsuka, Shuji Kitamura, Tomohiro Kawamoto, Tomoyoshi Soga   +8 more
doaj   +1 more source

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, Olivier J. M. Béquignon, Willem Jespers, Gerard J. P. van Westen   +3 more
doaj   +1 more source

A novel orally active HDAC6 inhibitor T-518 shows a therapeutic potential for Alzheimer’s disease and tauopathy in mice

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, Ryouta Maeda, Michiko Terada, Sho Sato, Takahiro Fujii, Masahiro Ito, Kentaro Hashikami, Tomohiro Kawamoto, Maiko Tanaka   +8 more
doaj   +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, Hiroaki Yamagishi, Satoshi Kubo, Mie Kiyohara, Toshihiro Matsuda, Toshiko Yahata, Heather A. Thomson, Christopher D. Hupp, Julie Liu, Takao Okuda, Kenichi Kakefuda   +10 more
doaj   +1 more source

Disruptive Strategies for Removing Drug Discovery Bottlenecks [PDF]

, 2012
Drug Discovery is shifting focus from the industry to outside partners and in the process creating new bottlenecks, suggesting the need for a more disruptive overhaul.
Antony Williams, Chris Waller, Mary Bradley, Sean Ekins, Sean Ekins   +4 more
core   +2 more sources

Fragments and hot spots in drug discovery [PDF]

, 2015
R01 GM064700 - NIGMS NIH HHSPublished ...
Kozakov, Dima, Vajda, Sandor, Whitty, Adrian   +2 more
core   +2 more sources

An engineered tetra-valent antibody fully activates the Tie2 receptor with comparable potency to its natural ligand angiopoietin-1

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, Hiromi Nara, Shigenori Yagi, Chihoko Ueno, Masazumi Kamohara   +4 more
doaj   +1 more source

Nanoscale integration of single cell biologics discovery processes using optofluidic manipulation and monitoring. [PDF]

, 2019
The new and rapid advancement in the complexity of biologics drug discovery has been driven by a deeper understanding of biological systems combined with innovative new therapeutic modalities, paving the way to breakthrough therapies for previously ...
Chen, Ching, Chen, Irwin, Chong, Su, Hamburger, Agi, Jess, Philip, Jorgolli, Marsela, Le, Kim, Lin, Fen-Fen, Miranda, Les P, Mock, Marissa, Munro, Trent, Nevill, Tanner, Stevens, Jennitte, Tagari, Philip, Tan, Christopher, Winters, Aaron, Wu, Ming, Xu, Han   +17 more
core   +1 more source

Mapping the druggable allosteric space of G-protein coupled receptors: a fragment-based molecular dynamics approach. [PDF]

, 2010
To address the problem of specificity in G-protein coupled receptor (GPCR) drug discovery, there has been tremendous recent interest in allosteric drugs that bind at sites topographically distinct from the orthosteric site. Unfortunately, structure-based
Ivetac, Anthony, McCammon, J Andrew
core   +2 more sources