Results 101 to 110 of about 449,170 (361)

Studies in molecular modeling, in vitro CDK2 inhibition and antimetastatic activity of some synthetic flavones

Frontiers in Bioscience-Landmark, 2020
Naturally occurring flavonoids have been shown to possess anticancer activity. We have previously shown that certain synthetic flavonoids also exert significant antiproliferative potential in MOLT-4, MCF-7, and HepG2 cell lines. To this end, we evaluated
Ojas S.Wagal, Akshada J. Joshi, Urmila J. Joshi, Heena R. Bhojwani, Khushboo V. Begwani, Harshank A. Dawne, Rajiv P. Gude, Sadhana S. Sathaye, Divya M. Kanchan   +8 more
doaj   +1 more source

Phenolic-protein interactions: insight from in-silico analyses – a review

Food Production, Processing and Nutrition, 2023
Phenolic compounds are ubiquitous plant secondary metabolites that possess various biological activities and are known to interact with proteins, altering their structure and properties.
Fereidoon Shahidi, Chandrika Sewwandi Dissanayaka   +1 more
doaj   +1 more source

Study on the Characteristics of Small-Molecule Kinase Inhibitors-Related Drug-Induced Liver Injury

Frontiers in Pharmacology, 2022
Background and Aim: More than half of the small-molecule kinase inhibitors (KIs) induced liver injury clinically. Meanwhile, studies have shown a close relationship between mitochondrial damage and drug-induced liver injury (DILI).
Huiqun Dong, Jia You, Yu Zhao, Danhua Zheng, Yi Zhong, Yi Zhong, Gaozheng Li, Zuquan Weng, Zuquan Weng, Heng Luo, Heng Luo, Heng Luo, Shan Jiang   +12 more
doaj   +1 more source

Identification of hepta-histidine as a candidate drug for Huntington's disease by in silico-in vitro- in vivo-integrated screens of chemical libraries. [PDF]

, 2016
We identified drug seeds for treating Huntington's disease (HD) by combining in vitro single molecule fluorescence spectroscopy, in silico molecular docking simulations, and in vivo fly and mouse HD models to screen for inhibitors of abnormal ...
Chen, Xigui, Finkbeiner, Steven, Fujita, Kyota, Homma, Hidenori, Ikura, Teikichi, Imamura, Tomomi, Ito, Nobutoshi, Kaye, Julia, Mao, Ying, Motoki, Kazumi, Nakabayashi, Makoto, Okano, Hideyuki, Okazawa, Hitoshi, Tagawa, Kazuhiko, Tamura, Takuya, Taniguchi, Juliana Bosso, Tomii, Kentaro, Yamada, Kazunori   +17 more
core   +2 more sources

Characterization of α-Glucosidase Inhibitors from Clinacanthus nutans Lindau Leaves by Gas Chromatography-Mass Spectrometry-Based Metabolomics and Molecular Docking Simulation

Molecules, 2018
Background: Clinacanthus nutans (C. nutans) is an Acanthaceae herbal shrub traditionally consumed to treat various diseases including diabetes in Malaysia. This study was designed to evaluate the α-glucosidase inhibitory activity of C.
S. Murugesu, Z. Ibrahim, Q. Ahmed, Nik Idris Nik Yusoff, B. Uzir, V. Perumal, F. Abas, Khozirah Saari, Hesham R. El-Seedi, A. Khatib   +9 more
semanticscholar   +1 more source

Recent studies of docking and molecular dynamics simulation for liquid‐phase enantioseparations [PDF]

ELECTROPHORESIS, 2019
AbstractLiquid‐phase enantioseparations have been fruitfully applied in several fields of science. Various applications along with technical and theoretical advancements contributed to increase significantly the knowledge in this area. Nowadays, chromatographic techniques, in particular HPLC on chiral stationary phase, are considered as mature ...
Peluso, Paola, Dessì, Alessandro, Dallocchio, Roberto, Mamane, Victor, Cossu, Sergio   +4 more
openaire   +5 more sources

Covalent Organic Frameworks for Photocatalysis

Advanced Materials, EarlyView.
This review provides an overview of recent advances in covalent organic frameworks (COFs) for photocatalysis, focusing on sustainable energy applications like water splitting, hydrogen peroxide generation, and CO2 and N2 reduction. It discusses design principles, structure‐function relationships, challenges in COF photocatalysis, and strategies to ...
Bikash Mishra, Akhtar Alam, Avanti Chakraborty, Bidhan Kumbhakar, Samrat Ghosh, Pradip Pachfule, Arne Thomas   +6 more
wiley   +1 more source

Interactions of GFAP with ceftriaxone and phenytoin: SRCD and molecular docking and dynamic simulation

Biochimica et Biophysica Acta (BBA) - General Subjects, 2016
GFAP is the major intermediate filament protein in mature astrocytes. Its increased expression and aggregation was firstly associated to Alexander's disease, and successively in different neurological diseases including scrapie, Alzheimer's and Creutzfeld-Jacob diseases.
Ruzza Paolo, Vitale Rosa Maria, Hussain Rohanah, Biondi Barbara, Amodeo Pietro, Sechi GianPietro, Siligardi Giuliano   +6 more
openaire   +6 more sources

DNA‑Directed Assembly of Photonic Nanomaterials for Diagnostic and Therapeutic Applications

Advanced Materials, EarlyView.
DNA‐directed assembly offers a powerful strategy for constructing structured photonic nanomaterials with precise spatial control. This review provides a comprehensive overview of recent advancements in DNA‐assembled photonic nanomaterials for diagnostics and therapeutics, highlighting key design principles, functionalization strategies, and optical ...
Longjiang Ding, Bing Liu, Andreas Peil, Sisi Fan, Jie Chao, Na Liu   +5 more
wiley   +1 more source

Elucidating the monoamine oxidase B inhibitory effect of kaurene diterpenoids from Xylopia aethiopica: An in silico approach.

PLoS ONE
Parkinson disease is a neurogenerative disease common in adults and results in different kinds of memory dysfuntions. This study evaluated the monoamine oxidase B (MAO-B) inhibitory potential of kaurane diterpenoids previously isolated from Xylopia ...
Funmilayo Gladys Famuyiwa, Rajesh B Patil, Samson Oluwaseyi Famuyiwa, Uduak Ime Olayemi, Esther Aina Olanudun, Bhoomendra A Bhongade, Jaiprakash N Sangshetti, Esther Oluwatosin Shalom, Suvarna N Vakare, Mohammed Sakib Musa, Abu Tayab Moin, Mohammad Helal Uddin, Kolade Olatubosun Faloye   +12 more
doaj   +1 more source