Results 71 to 80 of about 130,967 (246)

Hydrophobic Waters in Bromodomains

Proceedings, 2019
Targeting epigenetic proteins is a rapidly growing area for medicinal chemistry and drug [...]
Serena G. Piticchio, Miriam Martínez-Cartró, Salvatore Scaffidi, Sergio Rodríguez-Arévalo, Andrea Bagán, Ainoa Sánchez-Arfelis, Carmen Escolano, Carles Galdeano, Xavier Barril   +8 more
doaj   +1 more source

MagmaFlow: A desktop platform for artificial intelligence‐driven expression analysis

FEBS Open Bio, EarlyView.
MagmaFlow is a free, no‐code platform for gene expression analysis. It generates interactive volcano plots, links genes to literature, pathways, and diseases, prioritizes candidates using millions of publications, identifies affected biological processes, builds network diagrams, and exports publication‐ready figures and reports for macOS and Windows ...
Carlos E. Buss, Ao Li, Eduardo H. Gilglioni, Mayank Bansal, Sumeet Pal Singh, Latifa Bakiri, Alessandra K. Cardozo, Esteban N. Gurzov   +7 more
wiley   +1 more source

Frags2Drugs: A Novel In Silico Fragment-Based Approach to the Discovery of Kinase Inhibitors

Pharmaceuticals
Background/Objectives: Fragment-based approaches in the field of drug discovery and design have been widely developed and employed in both academia and industry.
Gautier Peyrat, Colin Bournez, Pascal Krezel, José-Manuel Gally, Stéphane Bourg, Samia Aci-Sèche, Pascal Bonnet   +6 more
doaj   +1 more source

Importin 7 mediates the nuclear import of HIV‐1 integrase via a specific interacting interface

FEBS Open Bio, EarlyView.
HIV‐1 integrase enables viral DNA integration into the host genome. By binding to the core domain of the host protein Importin 7 via its C‐terminal domain, the integrase is transported across the nuclear membrane into the nucleus, where integration of the viral genome into host DNA takes place. This translocation is a critical step for subsequent viral
Juana Bana, Avigail Yariv, Tal Oppenheim, Hadar Amartely, Dana Reichmann, Oded Livnah   +5 more
wiley   +1 more source

Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening. [PDF]

Acta Crystallogr D Struct Biol, 2023
Füsser FT, Wollenhaupt J, Weiss MS, Kümmel D, Koch O.   +4 more
europepmc   +1 more source

Design and synthesis of dihydroisoquinolones for fragment-based drug discovery (FBDD)

Organic & Biomolecular Chemistry, 2016
FBDD creates new opportunities for synthetic chemistry.
Nick, Palmer, Torren M, Peakman, David, Norton, David C, Rees   +3 more
openaire   +3 more sources

Evaluating the effect of γ‐oryzanol on MASLD pathology using a medaka fish model

FEBS Open Bio, EarlyView.
This study explores a liver disease called MASLD, which is increasing worldwide and can lead to serious damage. Researchers used medaka fish instead of rodents to test a food compound, γ‐oryzanol. Fish fed this compound had less liver fat and healthier gut bacteria.
Yukako Ito, Haduki Asano, Ayano Ueki, Joe Sakamoto, Yasuhiro Kamei, Hayato Tokumoto, Ayaka Yazawa, Shigeki Kamitani   +7 more
wiley   +1 more source

Discovery of inhibitors against SARS-CoV-2 main protease using fragment-based drug design. [PDF]

Chem Biol Interact, 2023
Shao HP, Wang TH, Zhai HL, Bi KX, Zhao BQ.   +4 more
europepmc   +1 more source

Multiple binding modes of a small molecule to human Keap1 revealed by X‐ray crystallography and molecular dynamics simulation

FEBS Open Bio, 2015
Keap1 protein acts as a cellular sensor for oxidative stresses and regulates the transcription level of antioxidant genes through the ubiquitination of a corresponding transcription factor, Nrf2.
Mikiya Satoh, Hajime Saburi, Tomoyuki Tanaka, Yoshinori Matsuura, Hisashi Naitow, Rieko Shimozono, Naoyoshi Yamamoto, Hideki Inoue, Noriko Nakamura, Yoshitaka Yoshizawa, Takumi Aoki, Ryuji Tanimura, Naoki Kunishima   +12 more
doaj   +1 more source

Identification of (20R)‐protopanaxadiol from Panax ginseng as a novel anti‐SARS‐CoV‐2 compound

FEBS Open Bio, EarlyView.
We established a noninfectious BAC‐based SARS‐CoV‐2 replicon that enables antiviral screening under BSL‐2 conditions. Using this platform, we screened 373 food‐derived compounds and identified (20R)‐protopanaxadiol from Panax ginseng as a novel inhibitor of SARS‐CoV‐2 RNA replication, highlighting the value of safe replicon systems for antiviral ...
Midori Takeda, Natsue Maezono, Rina Uchikoshi, Nobuyuki Kato, Masanori Ikeda   +4 more
wiley   +1 more source