Results 71 to 80 of about 3,429,176 (324)

Acceleration of Mechanistic Investigation of Plant Secondary Metabolism Based on Computational Chemistry

Frontiers in Plant Science, 2019
This review describes the application of computational chemistry to plant secondary metabolism, focusing on the biosynthetic mechanisms of terpene/terpenoid, alkaloid, flavonoid, and lignin as representative examples.
Hajime Sato, Hajime Sato, Kazuki Saito, Kazuki Saito, Mami Yamazaki   +4 more
doaj   +1 more source

BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology

Nucleic Acids Res., 2015
BindingDB, www.bindingdb.org, is a publicly accessible database of experimental protein-small molecule interaction data. Its collection of over a million data entries derives primarily from scientific articles and, increasingly, US patents.
M. Gilson, Tiqing Liu, M. Baitaluk, G. Nicola, Linda Hwang, J. Chong   +5 more
semanticscholar   +1 more source

Adenosine‐to‐inosine editing of miR‐200b‐3p is associated with the progression of high‐grade serous ovarian cancer

Molecular Oncology, EarlyView.
A‐to‐I editing of miRNAs, particularly miR‐200b‐3p, contributes to HGSOC progression by enhancing cancer cell proliferation, migration and 3D growth. The edited form is linked to poorer patient survival and the identification of novel molecular targets.
Magdalena Niemira, Anna Skwarska, Karolina Chwialkowska, Agnieszka Ostrowska, Gabriela Sokolowska, Anna Zeller, Anna Erol, Andrzej Eljaszewicz, Bartosz Hanczaruk, Anna Michalska‐Falkowska, Agnieszka Tarasik, Joanna Reszec‐Gielazyn, Pawel Knapp, Marcin Moniuszko, Adam Kretowski   +14 more
wiley   +1 more source

Understanding and measuring mechanical signals in the tumor stroma

FEBS Open Bio, EarlyView.
This review discusses cancer‐associated fibroblast subtypes and their functions, particularly in relation to extracellular matrix production, as well as the development of 3D models to study tumor stroma mechanics in vitro. Several quantitative techniques to measure tissue mechanical properties are also described, to emphasize the diagnostic and ...
Fàtima de la Jara Ortiz, Chiara Cimmino, Maurizio Ventre, Alessandra Cambi   +3 more
wiley   +1 more source

Bioengineering facets of the tumor microenvironment in 3D tumor models: insights into cellular, biophysical and biochemical interactions

FEBS Open Bio, EarlyView.
The tumor microenvironment is a dynamic, multifaceted complex system of interdependent cellular, biochemical, and biophysical components. Three‐dimensional in vitro models of the tumor microenvironment enable a better understanding of these interactions and their impact on cancer progression and therapeutic resistance.
Salma T. Rafik, Deniz Bakkalci, Alexander J. MacRobert, Umber Cheema   +3 more
wiley   +1 more source

Use of metamodels for rapid discovery of narrow bandgap oxide photocatalysts

iScience, 2021
Summary: New photocatalysts are traditionally identified through trial-and-error methods. Machine learning has shown considerable promise for improving the efficiency of photocatalyst discovery from a large potential pool. Here, we describe a multi-step,
Haoxin Mai, Tu C. Le, Takashi Hisatomi, Dehong Chen, Kazunari Domen, David A. Winkler, Rachel A. Caruso   +6 more
doaj  

Construction of hyperthermostable d‐allulose 3‐epimerase from Arthrobacter globiformis M30 using the sequence information from Arthrobacter psychrolactophilus

FEBS Open Bio, EarlyView.
d‐Allulose can be produced from d‐fructose by d‐allulose 3‐epimerase. Based on sequence homology information, we successfully engineered thermostable mutants with the protein engineering method. By integrating positive mutations, we constructed an enzyme that exhibits hyperthermostability without a loss in the activity.
Kensaku Shimada, Kouhei Ohtani, Pushpa Kiran Gullapalli, Kazuhiko Ishikawa   +3 more
wiley   +1 more source

Current trends in single‐cell RNA sequencing applications in diabetes mellitus

FEBS Open Bio, EarlyView.
Single‐cell RNA sequencing is a powerful approach to decipher the cellular and molecular landscape at a single‐cell resolution. The rapid development of this technology has led to a wide range of applications, including the detection of cellular and molecular mechanisms and the identification and introduction of novel potential diagnostic and ...
Seyed Sajjad Zadian, Khodakaram Jahanbin, Shekoofeh Nikooei, Marzieh Rostaminejad, Arezoo Rahimi, Pedram Abdizadeh, Behnam Alipoor   +6 more
wiley   +1 more source

Characterization of WAC interactions with R2TP and TTT chaperone complexes linking glucose and glutamine availability to mTORC1 activity

FEBS Open Bio, EarlyView.
TTT and R2TP chaperone complexes are required for the assembly and activation of mTORC1. WAC directly interacts with components of TTT, R2TP, and mTORC1, and these interactions are affected by the availability of glucose and glutamine, correlating with changes in mTORC1 activity.
Sofía Cabezudo, Natalia Cuervo, Carmen García‐Martín, Andrés López‐Perrote, Clara Reglero, Adrián Maqueda‐Real, Ana González‐Corpas, Marina Serna, Diego Megías, Alejo Efeyan, Solip Park, Oscar Llorca   +11 more
wiley   +1 more source

MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry.

Journal of Chemical Theory and Computation, 2019
We present a flexible and efficient framework for multiscale modeling in computational chemistry (MiMiC). It is based on a multiple-program multiple-data (MPMD) model with loosely coupled programs.
Jógvan Magnus Haugaard Olsen, Viacheslav Bolnykh, S. Meloni, E. Ippoliti, M. P. Bircher, P. Carloni, U. Rothlisberger   +6 more
semanticscholar   +1 more source