Zobrazeno 1 - 10
of 955
pro vyhledávání: '"structure-based virtual screening"'
Publikováno v:
Drug Design, Development and Therapy, Vol Volume 18, Pp 5283-5297 (2024)
Yashi Ruan,1,* Lixia Guan,2,* Yuting Wang,2 Yifei Geng,2 Xiaoran Wang,2 Miao-Miao Niu,2 Li Yang,1 Cen Xu,1 Zhen Xu1 1Department of Urology, Reproductive Medicine and Oncology, The Affiliated Taizhou People’s Hospital of Nanjing Medical Univ
Externí odkaz:
https://doaj.org/article/8b93015337b3453ea750abf4825b2597
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)
Abstract Structure-based virtual screening (SBVS) is a crucial computational approach in drug discovery, but its performance is sensitive to structural variations. Kinases, which are major drug targets, exemplify this challenge due to active site con
Externí odkaz:
https://doaj.org/article/e7c8586721a4473a9c3eff8160c89e51
Autor:
Narjes Noori Goodarzi, Mahshid Khazani Asforooshani, Behzad Shahbazi, Nayereh Rezaie Rahimi, Farzad Badmasti
Publikováno v:
Frontiers in Bioinformatics, Vol 4 (2024)
BackgroundHelicobacter pylori, a bacterium associated with severe gastrointestinal diseases and malignancies, poses a significant challenge because of its increasing antibiotic resistance rates. This study aimed to identify potential drug targets and
Externí odkaz:
https://doaj.org/article/485cc91e1e1b476686af08db79532c5b
Publikováno v:
Frontiers in Pharmacology, Vol 15 (2024)
BackgroundOverexpression of monopolar spindle 1 (MPS1) and histone deacetylase 8 (HDAC8) is associated with the proliferation of liver cancer cells, so simultaneous inhibition of both MPS1 and HDAC8 could offer a promising therapeutic approach for th
Externí odkaz:
https://doaj.org/article/b8dbf9d90b894eada1a37b0b880b3879
Publikováno v:
Advances and Applications in Bioinformatics and Chemistry, Vol Volume 17, Pp 61-70 (2024)
Tati Herlina,1 Abd Wahid Rizaldi Akili,1 Vicki Nishinarizki,1 Ari Hardianto,1 Jalifah Latip2 1Department of Chemistry, Universitas Padjadjaran, Jatinangor, West Java, Indonesia; 2Department of Chemical Sciences, Universiti Kebangsaan Malaysia, Bangi,
Externí odkaz:
https://doaj.org/article/2582de68023942c091158eb02296ae9a
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)
Abstract Even though in silico drug ligand-based methods have been successful in predicting interactions with known target proteins, they struggle with new, unassessed targets. To address this challenge, we propose an approach that integrates structu
Externí odkaz:
https://doaj.org/article/29a5194dc9134877b1e9b6bbcad5d5df
Autor:
Fateme Zare, Elaheh Ataollahi, Pegah Mardaneh, Amirhossein Sakhteman, Valiollah Keshavarz, Aida Solhjoo, Leila Emami
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-16 (2024)
Abstract DPP4 inhibitors can control glucose homeostasis by increasing the level of GLP-1 incretins hormone due to dipeptidase mimicking. Despite the potent effects of DPP4 inhibitors, these compounds cause unwanted toxicity attributable to their eff
Externí odkaz:
https://doaj.org/article/67a370535cbc468d829cf25671518d5c
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-17 (2024)
Abstract Poly ADP-ribose polymerase 1 (PARP1) is an attractive therapeutic target for cancer treatment. Machine-learning scoring functions constitute a promising approach to discovering novel PARP1 inhibitors. Cutting-edge PARP1-specific machine-lear
Externí odkaz:
https://doaj.org/article/a02fc69f5f844477a791bb844350e043
Autor:
Xabier Arias-Moreno
Publikováno v:
The Microbe, Vol 5, Iss , Pp 100200- (2024)
Humans can develop listeriosis by ingestion of foods contaminated with Listeria monocytogenes (L. monocytogenes), an opportunistic gram-positive ubiquitous bacterium. Whilst the non-invasive form of listeriosis may be asymptomatic or cause mild flu-l
Externí odkaz:
https://doaj.org/article/989f756fb2e44e1f9f0ba72b778de6ef
Autor:
Huang-Ju Tu, Min-Wu Chao, Cheng-Chung Lee, Chao-Shiang Peng, Yi-Wen Wu, Tony Eight Lin, Yu-Wei Chang, Shih-Chung Yen, Kai-Cheng Hsu, Shiow-Lin Pan, Wei-Chun HuangFu
Publikováno v:
Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 39, Iss 1 (2024)
Dual-specificity tyrosine-regulated kinase 1 A (DYRK1A) is crucial in neurogenesis, synaptogenesis, and neuronal functions. Its dysregulation is linked to neurodegenerative disorders like Down syndrome and Alzheimer’s disease. Although the developm
Externí odkaz:
https://doaj.org/article/5af157fcd59d43dfa082d52baafe6400