![](images/graphics/blank.gif)
In silico
-
Đái tháo đường (ĐTĐ) là bệnh lý mạn tính có liên quan đến rối loạn chuyển hóa và tăng glucose huyết. α-glucosidase và α-amylase là các enzym có vai trò quan trọng trong quá trình thủy phân tinh bột và carbohydrat, liên quan đến sự tăng giảm nồng độ glucose máu. Bài viết tiến hành sàng lọc một số hợp chất flavonoid để phát triển thành thuốc định hướng điều trị bệnh đái tháo đường.
11p
visergeyne
18-06-2024
2
0
Download
-
Nghiên cứu này đã cung cấp mối liên hệ giữa cấu trúc của hợp chất với khả năng ức chế enzym AChE thông qua mô phỏng docking phân tử. Các hợp chất cũng thể hiện tiềm năng ứng dụng làm thuốc thông qua đánh giá mức độ giống thuốc và dự đoán ADME.
9p
viambani
18-06-2024
2
1
Download
-
In this research paper we report the detailed synthesis, spectral (1H-NMR, FT-IR, and UV-Vis), crystal structure determination, DFT studies, and molecular modeling of 4-amino-3-mercapto-5-methyl-1,2,4-triazole (L2) Schiff base ligand and its complexes of cadmium as suitable bioactive agents for the treatment of malaria. From the spectroscopic results, the synthesized Schiff base has potentialtridentate coordination with themetal ion via hydroxy naphthalinic-O, azomethine-N and sulphur atom of the thione group.
17p
dianmotminh02
03-05-2024
2
1
Download
-
Cancer is the most destructive and fatal disease, representing an urgent medical challenge to the world. The discovery of a new anticancer candidate may help reduce or eliminate this alarming disease to a greater extent. On similar lines, in silico research was carried out on novel naphthylidene isoxazolidinedione derivatives that were logically conceived, synthesized, purified, and structurally characterized. In vitro biological evaluation revealed the most active compound 4d with an inhibitory concentration of 42.87 μM against K562 and 47.42 μM on A549 cells.
10p
dianmotminh02
03-05-2024
3
1
Download
-
This modeling is performed on an experimental data set of complexes, where the metal ions of these complexes include transition ion metals and lanthanide ion metals. We use these models to develop a series of new thiosemicarbazone and their complexes; simultaneously, the complexes are worked out the stability constants from the novel models.
9p
dianmotminh02
03-05-2024
4
1
Download
-
This plant contains natural compounds such as iridoids, naphthalene glycosides, and especially anthraquinones and anthraquinone glycosides. [9,10] Several compositions of M. longissima stems and roots have been reported to inhibit the in vitro replication of the hepatitis B virus. [11,12] Thus, the search for TNF-α inhibitors from the M. longissima plant and their natural constituents, especially anthraquinone compounds, by molecular docking approaches is necessary for the discovery of potential drug candidates for inflammation-mediated diseases.
7p
dianmotminh02
03-05-2024
4
1
Download
-
. In vitro biological evaluation revealed the most active compound 4d with an inhibitory concentration of 42.87 μM against K562 and 47.42 μM on A549 cells. The anticancer activity of this naphthylidene isoxazolidinedione derivative was evident by cell cycle and apoptosis assays, which showed arrest of the G2/M phase (65.6%) of the K562 cells and induction of apoptosis with 21.47% apoptotic cells as compared to 0.2% of untreated cells, respectively.
10p
dianmotminh02
03-05-2024
2
2
Download
-
In silico screening of alkaloids as potential inhibitors of HER2 protein for breast cancer treatment
his study focused on finding alkaloid compounds collected from Chemfaces database that inhibit HER2 enzyme employing computational methods such as molecular docking and ADMET prediction. Out of 118 phytochemicals docked to the ATP binding site of the HER2 kinase domain, 10 alkaloid compounds exhibited higher binding affinity than the reference inhibitor and satisfied the Lipinski’s rule of five. All compounds have good pharmacokinetic properties.
10p
dianmotminh02
03-05-2024
3
2
Download
-
Ebook "In silico modeling and experimental validation for improving methanogenesis from CO2 via M. maripaludis" explores the ability of M. maripaludis to capture and convert CO2 to methane in the presence of free nitrogen, and offers a consolidated review of the metabolic processes and applications of M. maripaludis. Further, it develops, validates and analyzes the first genome-scale metabolic model (iMM518) of M. maripaludis. Readers will discover, for the first time, the impact of nitrogen fixation on methane production.
140p
tracanhphuonghoa1007
22-04-2024
4
2
Download
-
Luận án "Nghiên cứu tác dụng chống đái tháo đường của lá cây Xấu hổ (Mimosa pudica L.) trên thực nghiệm" được hoàn thành với mục tiêu nhằm đánh giá tác dụng hạ đường huyết và một số tác dụng liên quan đến đái tháo đường của cao chiết lá cây Xấu hổ trên thực nghiệm; Đánh giá cơ chế tác dụng chống đái tháo đường của cao chiết và hai hợp chất chiết xuất từ lá cây Xấu hổ in vitro và in silico.
180p
khanhchi090625
04-04-2024
4
4
Download
-
Euonymus laxiflorus bioactive compounds 1-β-D-glucopyranosyloxy-3,5-dimethoxy-4- hydroxybenzene (1), Walterolactone A/B β-D-pyranoglucoside (2), Gallocatechin (3), Leonuriside A (4), Methyl galloate (5), and Catechin (6) were experimentally evidenced for their multi-inhibition against αglucosidase and α-amylase.
16p
viritesh
02-04-2024
2
1
Download
-
Nghiên cứu này mô tả đánh giá sàng lọc in silico về các hợp chất thực vật của cây Chùa dù nhằm mục tiêu vào yếu tố hoại tử khối u α (TNF-α) bằng phương pháp mô phỏng gắn kết phân tử (molecular docking). Cấu trúc phân tử đã được thực hiện để xem xét mô hình gắn kết của các hợp chất thực vật cây Chùa dù cùng với cấu trúc tinh thể của TNF-α (PDB ID: 2AZ5) bằng cách sử dụng chương trình AutoDock Vina, tiếp theo là nghiên cứu về các axit amin tương tác và tác động của chúng đối với khả năng ức chế của các hợp chất tiềm năng.
8p
viritesh
02-04-2024
2
1
Download
-
Clinical genetics laboratories have recently adopted guidelines for the interpretation of sequence variants set by the American College of Medical Genetics (ACMG) and Association for Molecular Pathology (AMP). The use of in silico algorithms to predict whether amino acid substitutions result in human disease is inconsistent across clinical laboratories.
3p
vioraclene
31-03-2024
3
2
Download
-
Ebook "Designing receptors for the next generation of biosensors" shows how synthetic receptors can be designed with characteristics that make them attractive alternatives to biological molecules in the sensory and diagnostics fields, with contributions from leading experts in the area.
271p
coduathanh1122
27-03-2024
3
1
Download
-
Part 2 book "Applied chemistry and chemical engineering (Vol 5 - Research methodologies in modern chemistry and applied science)" includes content: Whey protein based edible films - Progress and prospects, guar gum as a promising hydrocolloid - Properties and industry overview, current trends in the biotechnical production fructooligosaccharides, assessment of quercetin isolated from enicostemma littorale against few cancer targets - an in silico approach,... and other contents.
212p
muasambanhan08
01-03-2024
4
1
Download
-
Whole genome sequencing is increasingly being used for the diagnosis of patients with rare diseases. However, the diagnostic yields of many studies, particularly those conducted in a healthcare setting, are often disap‑ pointingly low, at 25–30%. This is in part because although entire genomes are sequenced, analysis is often confined to in silico gene panels or coding regions of the genome.
25p
vicwell
29-02-2024
3
1
Download
-
Identifying expressed somatic mutations from single-cell RNA sequencing data de novo is challenging but highly valuable. We propose RESA – Recurrently Expressed SNV Analysis, a computational framework to identify expressed somatic mutations from scRNA-seq data. RESA achieves an average precision of 0.77 on three in silico spike-in datasets.
18p
vicwell
29-02-2024
3
2
Download
-
5’ untranslated regions (5’UTRs) are essential modulators of protein translation. Predicting the impact of 5’UTR variants is challenging and rarely performed in routine diagnostics. Here, we present a combined approach of a comprehensive prioritization strategy and functional assays to evaluate 5’UTR variation in two large cohorts of patients with inherited retinal diseases (IRDs).
21p
vicwell
29-02-2024
3
1
Download
-
In ebook "Prion proteins (Topics in current chemistry, Volume 305)" we have assembled a set of chapters highlighting various aspects of prion diseases in humans and animals which show the intriguing features of both physiological and pathogenic PrP conformers. In addition, a wide spectrum of methodological approaches are described, ranging from in silico, chemical, and in vitro approaches to animal models, to illustrate the elaborate and extensive technology established in the prion field, allowing the analysis of disease mechanisms and the development of diagnostic and therapeutic strategies.
308p
manmanthanhla0201
26-02-2024
11
1
Download
-
The deregulation of microRNA-140 (miRNA-140) has been reported to be involved in the human pathogenesis of Osteoarthritis (OA). However, in Vietnam, to our knowledge, there is a limited study of evaluation of a miRNA-140 expression. The commercial kits for the quantitation of miRNA-140 are more expensive.
7p
vibego
02-02-2024
1
0
Download
CHỦ ĐỀ BẠN MUỐN TÌM
![](images/graphics/blank.gif)