Results 141 to 150 of about 26,236 (204)

Docking-score landscapes shape active-learning performance across Vina, Glide, and SILCS. [PDF]

J Comput Aided Mol Des
Chung J, Bhatt A, Levine JE, Lin YC, Zhao M, MacKerell AD, Jo S, Kosaraju SC, Luo YL.   +8 more
europepmc   +1 more source

Insights into tandem dioxygenases—copper radical oxidases in fungal Phytopathogens of the Colletotrichum acutatum species complex

The FEBS Journal, EarlyView.
In Colletotrichum acutatum species complex, conserved ring‐cleavage dioxygenases located adjacent to AA5_2 enzymes were investigated as potential redox partners. Biochemical analyses identified the dioxygenases as intradiol‐cleaving enzymes preferentially oxidizing methyl‐substituted catechols, while AA5_2 enzymes displayed weak alcohol oxidase ...
Radka Končitíková, David Ribeaucourt, Mireille Haon, David Navarro, Elodie Drula, Bastien Bissaro, Jean‐Guy Berrin, Mickael Lafond   +7 more
wiley   +1 more source

SurroDock: A Deep Learning Surrogate for Accelerated Pre-Docking Ligand Prioritization in Structure-Based Virtual Screening. [PDF]

Int J Mol Sci
Choi J.
europepmc   +1 more source

Genome assembly of Elcysma westwoodi provides insights into host‐plant cyanogenic glucoside detoxification and chemical defence gene evolution

Insect Molecular Biology, EarlyView.
A chromosome‐level genome of Elcysma westwoodi was assembled. The genome encodes 272 detoxification‐related genes. A single‐copy bCAS was retained for cyanide detoxification. CYP405A and CYP332A were recruited into cyanogenic defence evolution. UGT33A retained a conserved GT‐B fold and catalytic domains.
Minyoung Choi, Murtaza Khan, Juil Kim
wiley   +1 more source

Auxin response and PIN‐mediated transport in chlorophyte algae

Journal of Integrative Plant Biology, EarlyView.
Like multicellular plants, green algae respond to auxin and move it across their cells. However, their PIN‐like proteins do not act like plant auxin exporters, suggesting that basic auxin transport evolved early and specialized directional transport appeared later in plant evolution.
Adrijana Smoljan, Sarah Koutnik‐Abele, Dmitrii Vladimirtsev, Petr Klíma, Anita Bírošíková, Yuzhou Zhang, Jack Merrin, Maximilian Schuster, Katarina Kurtović, Ulrich Z. Hammes, Jan Petrášek, Jiří Friml   +11 more
wiley   +1 more source

<i>In Silico</i> Methods Applied in Drug and Pesticide Discovery. [PDF]

Molecules
Borota A, Stegarus DP, Rivera Sanchez G.
europepmc   +1 more source

HvPHO1 Controls a Glucose 1‐Phosphate–SnRK1 Signalling Module That Coordinates Starch Accumulation in Barley Endosperm

Plant Biotechnology Journal, EarlyView.
ABSTRACT Developing barley grains must balance the use of imported sucrose between soluble sugars and storage starch, but how this balance is controlled remains unclear. Here we show that loss of the plastidial α‐glucan phosphorylase HvPHO1 causes starch and soluble sugars to accumulate concurrently in barley grains.
Yulong Li, Yujia Chen, Jing Liu, Ping Yang, Guangqi Gao, Carlos Guzmán, Qiang Xu, Yazhou Zhang, Yanlin Liu, Pengfei Qi, Mei Deng, Shoufen Dai, Jian Ma, Guoyue Chen, Jirui Wang, Youliang Zheng, Yuming Wei, Qiantao Jiang   +17 more
wiley   +1 more source

Integrated Phytochemical Characterisation, Pharmacological Evaluation and Computational Investigation of Acampe papillosa Stem Extract

Analytical Science Advances, Volume 7, Issue 2, December 2026.
The pharmacological potential of the methanolic stem extract of Acampe papillosa is evaluated using in vivo and in silico approaches. The extract demonstrates significant anxiolytic, sedative, anti‐inflammatory, and antipyretic activities in experimental models, while molecular docking supports the observed biological effects through favorable ...
Qurratul Ain Sadia, Sadia Tamanna Tamim, Faruq Mohammed Tashriq, Nasir Uddin, Fatematus Zhohara Alam Hima, Ulfat Sobha Surat, Mily Khastagir, Muhammad Abdul Jalil, Md. Hossain Rasel, Arman Ullah Rafi, S. M. Moazzem Hossen   +10 more
wiley   +1 more source

Computational evaluation of EPA-PC binding to GCase in neuronopathic Gaucher disease. [PDF]

Curr Res Struct Biol
Nagori R, Rai PK, Solanki M, Sabharwal U, Patel P.   +4 more
europepmc   +1 more source

Sphingosine‐1‐Phosphate Attenuates LPS‐Induced Inflammatory Cardiac Injury in Association With RASGRP1–S100A9–NLRP3 Signaling

Drug Development Research, Volume 87, Issue 7, November 2026.
ABSTRACT Lipopolysaccharide (LPS) induces endotoxemia‐associated inflammatory cardiac injury rather than classical viral or autoimmune myocarditis. Sphingosine‐1‐phosphate (S1P) regulates cardiovascular and immune responses, predominantly through S1P receptors, but whether it also modulates macrophage‐associated inflammatory signaling during LPS ...
Chaofu Yue, Qiaolin Li, Chunyan Li, Taoxian Yang, Xian Huang, Feng Yue, Qiuyu Long, Rong Li, Rong Lei, Qingsong Ma, Caimei Hu, Qian Yang, Yongjun Yan, Yuan Liu, QinYong Yan, Mei Yang   +15 more
wiley   +1 more source