Fermentation of soybean hull by Monascus pilosus and elucidation of its related molecular mechanism involved in the inhibition of lipid accumulation. An in sílico and in vitro approach

2017 ◽  
Vol 42 (1) ◽  
pp. e12442
Author(s):  
Shakina Yesmin Simu ◽  
Verónica Castro-Aceituno ◽  
Sangchul Lee ◽  
Sungeun Ahn ◽  
Hyun Koo Lee ◽  
...  
Keyword(s):  
Molecular Mechanism ◽  
Lipid Accumulation ◽  
In Silico ◽  
Soybean Hull ◽  
Monascus Pilosus

Molecular mechanism of tobramycin with human serum albumin for probing binding interactions: multi-spectroscopic and computational approaches

2017 ◽  
Vol 41 (16) ◽  
pp. 8203-8213 ◽  
Author(s):  
Muslim Raza ◽  
Yun Wei ◽  
Yang Jiang ◽  
Aftab Ahmad ◽  
Saleem Raza ◽  
...  
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Binding Site ◽  
Molecular Mechanism ◽  
In Silico ◽  
The Novel ◽  
Binding Interactions ◽  
Computational Approaches

Highlighting novelty: comprehensive in vitro and in silico insights for understanding the novel binding site of TOB with HSA.

scholarly journals Molecular mechanism of the camptothecin resistance of Glu710Gly topoisomerase IB mutant analyzed in vitro and in silico

2013 ◽  
Vol 12 (1) ◽  
pp. 100 ◽  
Author(s):  
Cinzia Tesauro ◽  
Blasco Morozzo della Rocca ◽  
Alessio Ottaviani ◽  
Andrea Coletta ◽  
Laura Zuccaro ◽  
...  
Keyword(s):  
Molecular Mechanism ◽  
In Silico ◽  
Topoisomerase Ib

In-Vitro and In-Silico Anti-inflammatory Activity of Lupeol Isolated from Crateva adansonii and Its Hidden Molecular Mechanism

2020 ◽  
Vol 26 (4) ◽  
pp. 2179-2189 ◽  
Author(s):  
R. Thirumalaisamy ◽  
Fuad Ameen ◽  
A. Subramanian ◽  
T. Selvankumar ◽  
S. S. Alwakeel ◽  
...  
Keyword(s):  
Molecular Mechanism ◽  
In Silico ◽  
Inflammatory Activity ◽  
Anti Inflammatory

An anti-inflammatory molecular mechanism of action of α-mangostin, the major xanthone from the pericarp of Garcinia mangostana: an in silico, in vitro and in vivo approach

2018 ◽  
Vol 9 (7) ◽  
pp. 3860-3871 ◽  
Author(s):  
Syam Mohan ◽  
Suvitha Syam ◽  
Siddig Ibrahim Abdelwahab ◽  
Neelaveni Thangavel
Keyword(s):  
Molecular Mechanism ◽  
Mechanism Of Action ◽  
In Silico ◽  
Garcinia Mangostana ◽  
Molecular Mechanism Of Action ◽  
Anti Inflammatory

α-Mangostin (αMN) is a xanthone present in the pericarp of Garcinia mangostana Linn.

IN VITRO/IN SILICO CHARACTERIZATION OF ACTIVE AND PASSIVE STRESSES IN CARDIAC MUSCLE

2012 ◽  
Vol 10 (2) ◽  
pp. 171-188 ◽  
Author(s):  
Markus Boel ◽  
Oscar J. Abilez ◽  
Ahmed N Assar ◽  
Christopher K. Zarins ◽  
Ellen Kuhl
Keyword(s):  
Cardiac Muscle ◽  
In Silico ◽  
In Silico Characterization

Role of 4-O Galloylchlorogenic Acid in Lung Cancer- An Insilico Approach

2017 ◽  
Vol 9 (5) ◽  
Author(s):  
Jaynthy C. ◽  
N. Premjanu ◽  
Abhinav Srivastava
Keyword(s):  
Lung Cancer ◽  
Cell Proliferation ◽  
In Silico ◽  
Computational Study ◽  
Regulation Mechanism ◽  
Down Regulation ◽  
Fruit Extract ◽  
In Vitro Techniques ◽  
Discovery Studio

Cancer is a major disease with millions of patients diagnosed each year with high mortality around the world. Various studies are still going on to study the further mechanisms and pathways of the cancer cell proliferation. Fucosylation is one of the most important oligosaccharide modifications involved in cancer and inflammation. In cancer development increased core fucosylation by FUT8 play an important role in cell proliferation. Down regulation of FUT8 expression may help cure lung cancer. Therefore the computational study based on the down regulation mechanism of FUT8 was mechanised. Sapota fruit extract, containing 4-Ogalloylchlorogenic acid was used as the inhibitor against FUT-8 as target and docking was performed using in-silico tool, Accelrys Discovery Studio. There were several conformations of the docked result, and conformation 1 showed 80% dock score between the ligand and the target. Further the amino acids of the inhibitor involved in docking were studied using another tool, Ligplot. Thus, in-silico analysis based on drug designing parameters shows that the fruit extract can be studied further using in-vitro techniques to know its pharmacokinetics.

Discovery of New AKT1 Inhibitors by Combination of In silico Structure Based Virtual Screening Approaches and Biological Evaluations

2019 ◽  
Author(s):  
Filip Fratev ◽  
Denisse A. Gutierrez ◽  
Renato J. Aguilera ◽  
suman sirimulla
Keyword(s):  
Virtual Screening ◽  
Success Rate ◽  
Protein Interactions ◽  
In Silico ◽  
Biological Data ◽  
In Vitro Binding ◽  
Vitro Binding ◽  
Screening Protocol ◽  
Screening Approaches

AKT1 is emerging as a useful target for treating cancer. Herein, we discovered a new set of ligands that inhibit the AKT1, as shown by in vitro binding and cell line studies, using a newly designed virtual screening protocol that combines structure-based pharmacophore and docking screens. Taking together with the biological data, the combination of structure based pharamcophore and docking methods demonstrated reasonable success rate in identifying new inhibitors (60-70%) proving the success of aforementioned approach. A detail analysis of the ligand-protein interactions was performed explaining observed activities.<br>

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