Results 31 to 40 of about 1,302,906 (282)

Study of Selected Flavonoid Structures and Their Potential Activity as Breast Anticancer Agents

Cancer Informatics, 2021
Flavonoids contain pharmacological effects that help to protect cells from damage. However, the anticancer activity of flavonoids is related to their modulation of signal transduction pathways within cancer cells.
Mohammed Hadi Ali Al-Jumaili, Muqdad Khairi Yahya Al hdeethi   +1 more
doaj   +1 more source

Adjustment of the SMART risk score by bioactive adrenomedullin enables a more accurate prediction of mortality in patients with ASCVD

Atherosclerosis
Published by Elsevier Science, Amsterdam [u.a.]
Berkan Kurt, Matthias Rau, Oliver Hartmann, Andreas Bergmann, Martin Reugels, Susanne Just, Florian A. Wenzl, Julia Moellmann, Jens Spießhöfer, Andrea Milzi, Kinan Kneizeh, Kirsten Thiele, Mathias Hohl, Simina-Ramona Selejan, Emiel P.C. van der Vorst, Edgar Dahl, Jörg Schröder, Thomas F. Lüscher, Nikolaus Marx, Michael Lehrke, Florian Kahles   +20 more
openaire   +4 more sources

Multitask Bioactivity Predictions Using Structural Chemical and Cell Morphology Information [PDF]

, 2020
The understanding of the Mechanism-of-Action (MoA) of compounds and the prediction of potential drug targets has an important role in small-molecule drug discovery.
Lewis, Mervin, Noé, Sturm, Andreas, Bender, Ian, Barrett, Maria-Anna, Trapotsi, Avid M., Afzal, Ola, Engkvist   +6 more
core   +1 more source

Bioactivity-HiTES Unveils Cryptic Antibiotics Encoded in Actinomycete Bacteria

, 2019
Bacteria harbor an immense reservoir of potentially new and therapeutic small molecules in the form of “silent” biosynthetic gene clusters (BGCs). These BGCs can be identified bioinformatically but are sparingly expressed under normal laboratory growth ...
Fei Xu, Chen Zhang (66790), Mohammad R. Seyedsayamdost (129142), Kyuho Moon (1426063), Chen Zhang, Mohammad R. Seyedsayamdost, Fei Xu (368913), Kyuho Moon   +7 more
core   +1 more source

Bioactivity of tempe by inhibiting adhesion of ETEC to intestinal cells, as influenced by fermentation substrates and starter pure cultures [PDF]

, 2010
Soya bean tempe is known for its bioactivity in reducing the severity of diarrhoea in piglets. This bioactivity is caused by an inhibition of the adhesion of enterotoxigenic Escherichia coli (ETEC) to intestinal cells.
Nout, M.J.R., Roubos-van den Hil, P.J., Meulen, J., van der, Gruppen, H.   +3 more
core   +1 more source

Toxicology of respiratory system: Profiling chemicals in PM10 for molecular targets and adverse outcomes

Environment International, 2022
Numerous studies have shown that the increasing trend of respiratory diseases have been closely associated with the endogenous toxic chemicals (polycyclic aromatic hydrocarbons, heavy metal ions, etc.) in PM10.
Junyu Wang, Yixia Zhang, Zhijun Zhang, Wancong Yu, Ang Li, Xin Gao, Danyu Lv, Huaize Zheng, Xiaohong Kou, Zhaohui Xue   +9 more
doaj   +1 more source

SMARTDock: A toolkit for the automated development of target-specific scoring functions using bioactivity data

Journal of Chemical Information and Modeling
Molecular docking has become an essential tool in the early stages of structure-based drug discovery, enabling rapid virtual screening of large compound libraries against biological targets. However, the accuracy of binder selection is often limited by the available scoring functions.
Felipe Victoria-Muñoz, Norberto Sanchez-Cruz, Oliver Koch   +2 more
openaire   +2 more sources

Bioactivity-Based Molecular Networking for the Discovery of Drug Leads in Natural Product Bioassay-Guided Fractionation

, 2018
It is a common problem in natural product therapeutic lead discovery programs that despite good bioassay results in the initial extract, the active compound(s) may not be isolated during subsequent bioassay-guided purification.
Julien Paolini (1502854), Pieter Leyssen (709993), Zheng Zhang (88857), Mélissa Nothias-Esposito (4906570), Pieter C. Dorrestein (224907), Ricardo da Silva (4906567), Theodore Alexandrov (1875955), Louis-Félix Nothias (3236412), David Touboul (116865), Jean Costa (1502848), Marc Litaudon (523316), Mingxun Wang (1327497), Ivan Protsyuk (3236406), Abi Sarvepalli (4906564)   +13 more
core   +1 more source

Cleanliness scores as indicator of klebsiella exposure in dairy cows [PDF]

, 2008
This study was designed to explore the relationship between cow and udder cleanliness scores and the risk of isolation of Klebsiella spp. from lower hind legs and teat ends, respectively. The distribution of Klebsiella species was compared among isolates
Schukken, Y. H., Schukken, Y.H., Griffiths, H. M., Zadoks, R. N., Bennett, G.J., Munoz, M. A., Ahlström, C., Griffiths, H.M., Zadoks, R.N., Munoz, M.A., Bennett, G. J.   +10 more
core   +1 more source

Evaluation of Vibrational, Electronic, Topology, Reactivity, Bioactivity, Bioavailability and Blood-Brain Barrier Score of 1-(2,6-dimethylphenoxy)propan-2-amine-A DFT, Spectro-scopic and Molecular Docking Approach

Analytical Chemistry Letters, 2022
Density functional theory (DFT) has become an integral technique when it comes to the arena of quantum mechanical calculations. Its credibility and effectiveness have been established, especially for organic compounds. Here, the vibrational and electronic characteristics of 1-(2,6-dimethylphenoxy)propan-2-amine are evaluated using density functional ...
George, Jacob, Prasana, Johanan Christian, Muthu, S., Kuruvilla, Tintu K, Saji, Rinnu Sara, George, Elizabeth   +5 more
openaire   +1 more source