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Sustainability in drug discovery

Medicine in Drug Discovery, 2021
Due to the expanding and ageing world population, the importance and use of medicines is expected to increase. However, this will lead to a greater impact on the ecosystem and our health in the long term.The concept of sustainability is rather slowly gaining traction and is currently still fragmented in the pharmaceutical field.
Wynendaele, Evelien, Furman, Christophe, Wielgomas, Bartosz, Larsson, Per, Hak, Eelko, Block, Thomas, Van Calenbergh, Serge, Willand, Nicolas, Markuszewski, Michal, Odell, Luke R., Poelarends, Gerrit J., De Spiegeleer, Bart   +11 more
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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, Vinod Scaria, Open Source Drug Discovery Consortium   +2 more
doaj   +2 more sources

Aging and drug discovery [PDF]

Aging, 2018
ISSN:1945 ...
Michael Ristow, Martijn S. Luijsterburg, Judith Campisi, Judith Campisi, Alex Zhavoronkov, Olga Kovalchuk, Vadim N. Gladyshev, Vadim N. Gladyshev, Alexander Aliper, Alejandro Martin-Montalvo, Dudley W. Lamming, Amanuel Teklu, Daniela Bakula, Collin Y. Ewald, Ivan V. Ozerov, Joseph A. Baur, Michael A. Petr, Garik Mkrtchyan, Alexey Moskalev, Alexey Moskalev, Anastasia Georgievskaya, Alexander Pickett, Morten Scheibye-Knudsen, Polina Mamoshina, S. Jay Olshansky, Stuart Maudsley   +25 more
openaire   +9 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

MicroED in drug discovery

Current Opinion in Structural Biology, 2023
The cryo-electron microscopy (cryo-EM) method microcrystal electron diffraction (MicroED) was initially described in 2013 and has recently gained attention as an emerging technique for research in drug discovery. As compared to other methods in structural biology, MicroED provides many advantages deriving from the use of nanocrystalline material for ...
Emma Danelius, Khushboo Patel, Brenda Gonzalez, Tamir Gonen   +3 more
openaire   +4 more sources

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

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

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

Glycans in drug discovery

MedChemComm, 2019
Exploiting glycan recognition in drug discovery.
Ana Ardá, Niels-Christian Reichardt, Jesús Jiménez-Barbero, Jesús Jiménez-Barbero, Ana Gimeno, Pablo Valverde   +5 more
openaire   +4 more sources