[HTML][HTML] Deep generative modeling for protein design
A Strokach, PM Kim - Current opinion in structural biology, 2022 - Elsevier
Deep learning approaches have produced substantial breakthroughs in fields such as
image classification and natural language processing and are making rapid inroads in the …
image classification and natural language processing and are making rapid inroads in the …
High-resolution de novo structure prediction from primary sequence
Recent breakthroughs have used deep learning to exploit evolutionary information in
multiple sequence alignments (MSAs) to accurately predict protein structures. However …
multiple sequence alignments (MSAs) to accurately predict protein structures. However …
Design, synthesis, and biological activity of dual monoamine oxidase A and heat shock protein 90 inhibitors, N-Methylpropargylamine-conjugated 4 …
HJ Tseng, S Banerjee, B Qian, MJ Lai, TY Wu… - European Journal of …, 2023 - Elsevier
Abstract Monoamine oxidase A (MAO A) and heat shock protein 90 (HSP90) inhibitors have
been shown to decrease the progression of glioblastoma (GBM) and other cancers. In this …
been shown to decrease the progression of glioblastoma (GBM) and other cancers. In this …
EnGens: a computational framework for generation and analysis of representative protein conformational ensembles
Proteins are dynamic macromolecules that perform vital functions in cells. A protein structure
determines its function, but this structure is not static, as proteins change their conformation …
determines its function, but this structure is not static, as proteins change their conformation …
Novel benzenesulfonamides aryl and arylsulfone conjugates adopting tail/dual tail approaches: synthesis, carbonic anhydrase inhibitory activity and molecular …
New series of benzenesulfonamide and benzoic acid derivatives were designed and
synthesized using tail/dual tail approach to improve potency and selectivity as carbonic …
synthesized using tail/dual tail approach to improve potency and selectivity as carbonic …
[HTML][HTML] Exploring the functionality and conservation of Alba proteins in Trypanosoma cruzi: A focus on biological diversity and RNA binding ability
JM Matiz-González, D Pardo-Rodriguez… - International Journal of …, 2024 - Elsevier
Trypanosoma cruzi is the causative agent of Chagas disease, as well as a trypanosomatid
parasite with a complex biological cycle that requires precise mechanisms for regulating …
parasite with a complex biological cycle that requires precise mechanisms for regulating …
Uncovering the anti-breast cancer activity potential of east Kalimantan propolis by In vitro and bioinformatics analysis
Numerous side effects of breast cancer drugs have prompted researchers to explore more
into new therapeutic approaches derived from natural substances. In this context, our study …
into new therapeutic approaches derived from natural substances. In this context, our study …
Identification of new 4-(6-oxopyridazin-1-yl) benzenesulfonamides as multi-target anti-inflammatory agents targeting carbonic anhydrase, COX-2 and 5-LOX enzymes …
Multiple inhibitions of CA, COX-2 and 5-LOX enzymes has been recognised as a useful
strategy for the development of anti-inflammatory drugs that can avoid the disadvantages of …
strategy for the development of anti-inflammatory drugs that can avoid the disadvantages of …
[HTML][HTML] Preliminary investigation on the mechanism of anti-periodontitis effect of Scutellariae Radix based on bioinformatics analysis and in vitro verification
J Feng, Y Li, J Liu, N Li, B Sun, S Zhao, Y Zhai - Heliyon, 2024 - cell.com
Objective To investigate the material basis, targets and molecular mechanism of Scutellariae
Radix against periodontitis to provide theoretical basis for clinical applications. Materials …
Radix against periodontitis to provide theoretical basis for clinical applications. Materials …
Common patterns of hydrolysis initiation in P-loop fold nucleoside triphosphatases
MI Kozlova, DN Shalaeva, DV Dibrova… - Biomolecules, 2022 - mdpi.com
The P-loop fold nucleoside triphosphate (NTP) hydrolases (also known as Walker NTPases)
function as ATPases, GTPases, and ATP synthases, are often of medical importance, and …
function as ATPases, GTPases, and ATP synthases, are often of medical importance, and …