[NMR paper] Anticancer (cytotoxic, anticlonogenic, antimetastatic, immunomodulatory actions) properties of 3,5-dibromosalicylaldehyde against glioblastoma cells and DFT analyses (FT-IR, Raman, NMR, UV) as well as a molecular docking study
Anticancer (cytotoxic, anticlonogenic, antimetastatic, immunomodulatory actions) properties of 3,5-dibromosalicylaldehyde against glioblastoma cells and DFT analyses (FT-IR, Raman, NMR, UV) as well as a molecular docking study
CONCLUSION: Identifying stable structure is crucial to molecular docking studies. In order to identify the mechanism by which 3,5-DBSA binds to PI3K as a therapeutic target, molecular docking was utilized. This work is the first to show that 3,5-DBSA is cytotoxic, anticlonogenic, antimetastatic, and immunomodulatory in glioblastoma cell line U87MG compared to healthy fibroblast L929 cells. Cytotoxicity and anti-clonogenicity studies investigated 3,5-DBSA's antiproliferative activities, whereas...
[NMR paper] A study on anticancer and antioxidant ability of selected brown algae biomass yielded polysaccharide and their chemical and structural properties analysis by FT-IR and NMR analyses
A study on anticancer and antioxidant ability of selected brown algae biomass yielded polysaccharide and their chemical and structural properties analysis by FT-IR and NMR analyses
The study was conducted to determine the chemical and structural properties of polysaccharides extracted from the marine macroalgae Nemalion cari-cariense. Furthermore, evaluate the anticancer and free radical scavenging activity of purified N. cari-cariense polysaccharide. Approximately 41.6% (w/w) of crude polysaccharide was extracted from N. cari-cariense macroalgae biomass. After deproteinization, the...
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07-20-2024 02:50 PM
[NMR paper] Quantum Computational, Spectroscopic (FT-IR, FT-Raman, NMR, and UV-Vis) Hirshfeld Surface and Molecular Docking-Dynamics Studies on 5-Hydroxymethyluracil (Monomer and Trimer)
Quantum Computational, Spectroscopic (FT-IR, FT-Raman, NMR, and UV-Vis) Hirshfeld Surface and Molecular Docking-Dynamics Studies on 5-Hydroxymethyluracil (Monomer and Trimer)
For many decades, uracil has been an antineoplastic agent used in combination with tegafur to treat various human cancers, including breast, prostate, and liver cancer. Therefore, it is necessary to explore the molecular features of uracil and its derivatives. Herein, the molecule's 5-hydroxymethyluracil has been thoroughly characterized by NMR, UV-Vis, and FT-IR spectroscopy by means of experimental and theoretical...
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03-12-2023 07:57 PM
[NMR paper] Analyzing organophosphate pesticide-serum albumin binding interaction: A combined STD NMR and molecular docking study.
Analyzing organophosphate pesticide-serum albumin binding interaction: A combined STD NMR and molecular docking study.
Related Articles Analyzing organophosphate pesticide-serum albumin binding interaction: A combined STD NMR and molecular docking study.
J Biomol Struct Dyn. 2020 Mar 19;:1-24
Authors: Dahiya V, Anand BG, Kar K, Pal S
Abstract
In Vitro analysis of the interaction of organophosphate pesticides (OP) with bovine serum albumin (BSA) is crucial to understand their potential effects at the molecular level. In this...
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03-21-2020 12:53 AM
[NMR paper] Synthesis, spectroscopic characterization (FT-IR, FT-Raman, and NMR), quantum chemical studies and molecular docking of 3-(1-(phenylamino)ethylidene)-chroman-2,4-dione.
Synthesis, spectroscopic characterization (FT-IR, FT-Raman, and NMR), quantum chemical studies and molecular docking of 3-(1-(phenylamino)ethylidene)-chroman-2,4-dione.
Related Articles Synthesis, spectroscopic characterization (FT-IR, FT-Raman, and NMR), quantum chemical studies and molecular docking of 3-(1-(phenylamino)ethylidene)-chroman-2,4-dione.
Spectrochim Acta A Mol Biomol Spectrosc. 2018 Jan 10;195:31-40
Authors: Avdovi? EH, Milenkovi? D, Dimitri? Markovi? JM, ?orovi? J, Vukovi? N, Vuki? MD, Jevti? VV, Trifunovi? SR, Poto??ák I, Markovi? Z...
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01-26-2018 12:08 PM
Journal Highlight: 1H NMR spectroscopy of glioblastoma stem-like cells identifies alpha-aminoadipate as a marker of tumor aggressiveness
Journal Highlight: 1H NMR spectroscopy of glioblastoma stem-like cells identifies alpha-aminoadipate as a marker of tumor aggressiveness
http://www.spectroscopynow.com/common/images/thumbnails/14c5b57869d.jpgMetabolite profiles of 42 glioblastoma stem-like cell lines were screened with 1H NMR spectroscopy and compared with human neural progenitor cells from human adult olfactory bulb and from the developing human brain.
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03-30-2015 06:04 PM
[NMR paper] Insilico molecular modeling, docking and spectroscopic [FT-IR/FT-Raman/UV/NMR] analysis of Chlorfenson using computational calculations.
Insilico molecular modeling, docking and spectroscopic analysis of Chlorfenson using computational calculations.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Insilico molecular modeling, docking and spectroscopic analysis of Chlorfenson using computational calculations.
Spectrochim Acta A Mol Biomol Spectrosc. 2013 Nov;115:118-35
Authors: Ramalingam S, Periandy S, Sugunakala S, Prabhu T, Bououdina M
Abstract
In the present work, the...
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03-22-2014 04:03 PM
[NMR paper] (1) H NMR detects different metabolic profiles in glioblastoma stem-like cells.
(1) H NMR detects different metabolic profiles in glioblastoma stem-like cells.
Related Articles (1) H NMR detects different metabolic profiles in glioblastoma stem-like cells.
NMR Biomed. 2013 Oct 21;
Authors: Guidoni L, Ricci-Vitiani L, Rosi A, Palma A, Grande S, Luciani AM, Pelacchi F, di Martino S, Colosimo C, Biffoni M, De Maria R, Pallini R, Viti V
Abstract
The metabolic profiles of glioblastoma stem-like cells (GSCs) growing in neurospheres were examined by (1) H NMR spectroscopy. Spectra of two GSC lines, labelled 1 and 83, from...
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10-23-2013 03:49 AM
[NMR paper] Solution 1H NMR study of the active site molecular structure and magnetic properties
Solution 1H NMR study of the active site molecular structure and magnetic properties of the cyanomet complex of the isolated, tetrameric beta-chain from human adult hemoglobin.
Related Articles Solution 1H NMR study of the active site molecular structure and magnetic properties of the cyanomet complex of the isolated, tetrameric beta-chain from human adult hemoglobin.
Biochim Biophys Acta. 2004 Sep 1;1701(1-2):75-87
Authors: Tran AT, Kolczak U, La Mar GN
The solution molecular structure and the electronic and magnetic properties of the heme...
Anticancer (cytotoxic, anticlonogenic, antimetastatic, immunomodulatory actions) properties of 3,5-dibromosalicylaldehyde against glioblastoma cells and DFT analyses (FT-IR, Raman, NMR, UV) as well as a molecular docking study
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