Results 131 to 140 of about 26,236 (204)

An extension of jamdock-suite for virtual screening from raw chemical datasets. [PDF]

STAR Protoc
Emon S, Haque MM, Alam I, Haque MA, Alam JM.   +4 more
europepmc   +1 more source

Triggering SORL1 Expression Restricts ccRCC Progression by Inducing Ubiquitination‐Mediated c‐Myc Degradation

Cancer Science, EarlyView.
Targeted triggering of SORL1 expression through a novel MPOC delivery system could inhibit ccRCC progression through binding to TRIM22 and further promoting ubiquitination‐mediated C‐MYC degradation, thereby facilitating the inhibition of oxidative phosphorylation through transcriptional repression of ACO2 and IDH2.
Keyi Wang, Wei Song, Qi Bai, Shaoze Shen, Xiao Lu, Chenxuan Su, Shi Yang, Yidi Wang, Yu Xia, Rui Zan, Shuai Jiang, Jianming Guo   +11 more
wiley   +1 more source

Attracting Cavities 3.0: faster and more versatile molecular docking for the SwissDock webserver. [PDF]

Bioinformatics
Röhrig UF, Mathieu-Bugnon M, Zoete V.
europepmc   +1 more source

PEG400 regulates Falcipain 2 activity through an allosteric mechanism

The FEBS Journal, EarlyView.
Falcipain‐2 can potentially be leveraged as a drug target due to its critical role as a haemoglobinase during the intra‐erythrocytic stage of Plasmodium falciparum. Here, we investigate the regulation of the proteolytic and haemoglobinase activity of falcipain‐2 in the presence of polyethylene glycol.
Bikram Nath, Subhoja Chakraborty, Sampa Biswas   +2 more
wiley   +1 more source

<i>In Silico</i> Exploration of Cannabidiol Interactions with Outer Membrane Proteins in <i>Salmonella</i> Typhimurium LT2. [PDF]

Int J Mol Sci
Ibrahim I, Ndezure E, Lawrence K, Forte OA, Naidu N, Huitt L, Ajibola N, Xu J, Boakai RK, Mengu M, Akabanda F, Owusu-Kwarteng J, Ajayi OS, Ayariga JA.   +13 more
europepmc   +1 more source

Iloperidone treatment mitigates the Juvenile Huntington's Disease phenotype possibly via Sigma‐1 Receptor Modulation

The FEBS Journal, EarlyView.
We investigated the potential of iloperidone as an activator of Sigma‐1 receptor (S1R) neuroprotective function in juvenile Huntington's disease (jHD). We tested iloperidone on cortical neurons differentiated from patient‐derived iPSCs, demonstrating that it acts as a S1R agonist, decreasing apoptosis, huntingtin aggregation, and oxidative stress ...
Ersilia Fornetti, Gaia Galluzzi, Mario Frezzini, Cécile Exertier, Vittorio Brufani, Gianni Colotti, Giancarlo Ruocco, Jessica Rosati, Angelo Luigi Vescovi, Daniele Narzi, Ilaria Genovese, Andrea Ilari   +11 more
wiley   +1 more source

Cross-docking and redocking reveal distinct determinants of success in physics-based and AI-driven binding pose prediction in protein-ligand complexes. [PDF]

RSC Adv
Suri K, Yadav A, Tripathi A, Murugan NA.
europepmc   +1 more source

Toward understanding the catalytic mechanism for two classes of bacterial phospholipid N‐methyltransferases

The FEBS Journal, EarlyView.
Phospholipid N‐methyltransferases (Pmts) synthesize phosphatidylcholine in many bacteria. In this study, we compared the catalytic mechanisms of two bacterial Pmt classes: the Rhodobacter (R‐) and the Sinorhizobium (S‐) type. Representative enzymes for each class were derived from Rubellimicrobium thermophilum and Agrobacterium tumefaciens ...
Irina Shevyreva, Lena Sophie Fritsch, Leander Mika Koch, Anton Effing, Meriyem Aktas, Franz Narberhaus   +5 more
wiley   +1 more source

MOZAIC: compound growth via in silico reactions and global optimization using Conformational Space Annealing. [PDF]

Bioinformatics
Yoo J, Shin WH.
europepmc   +1 more source

Structural insights into xyloglucan recognition by an ABC transporter from a Gram‐positive, thermophilic bacterium

The FEBS Journal, EarlyView.
Athe_2052 is an ABC transporter substrate‐binding protein that recognizes xyloglucan heptasaccharide (XXXG), a soluble breakdown product of plant xyloglucan. The crystal structure of Athe_2052, together with binding assays and computational modeling, shows how XXXG is recognized by this sugar transporter.
Hansen Tjo, Virginia Jiang, Philip D. Jeffrey, Angela Zhu, A. James Link, Jerelle A. Joseph, Jonathan M. Conway   +6 more
wiley   +1 more source