Correlation of the Physicochemical and Structural Properties of pDNA/Cationic Liposome Complexes with Their in Vitro Transfection

Langmuir ◽  
2012 ◽  
Vol 28 (31) ◽  
pp. 11535-11545 ◽  
Author(s):  
Tiago A. Balbino ◽  
Antônio A. M. Gasperini ◽  
Cristiano L. P. Oliveira ◽  
Adriano R. Azzoni ◽  
Leide P. Cavalcanti ◽  
...  
Keyword(s):  
Structural Properties ◽  
Cationic Liposome ◽  
Physicochemical And Structural Properties ◽  
In Vitro Transfection

Molecular Docking Approaches to Suggest the Anti-Mycobacterial Targets of Natural Products

2020 ◽  
Author(s):  
Rafael Baptista ◽  
Sumana Bhowmick ◽  
Shen Jianying ◽  
Luis Mur
Keyword(s):  
Natural Products ◽  
Molecular Docking ◽  
Free Energies ◽  
Antibiotic Resistant ◽  
Drug Lead ◽  
Bisbenzylisoquinoline Alkaloids ◽  
Docking Approach ◽  
Global Threat ◽  
Physicochemical And Structural Properties

Tuberculosis (TB) is a major global threat mostly due to the development of antibiotic resistant forms of Mycobacterium tuberculosis, the causal agent of the disease. Driven by the pressing need for new anti-mycobacterial agents, several natural products (NPs) have been shown to have in vitro activities against M. tuberculosis. The utility of any NP as a drug lead is augmented when the anti-mycobacterial target(s) is unknown. To suggest these, we used a molecular docking approach to predict the interactions of 53 selected anti-mycobacterial NPs against known ‘druggable’ mycobacterial targets ClpP1P2, DprE1, InhA, KasA, PanK, PknB and Pks13. The docking scores / binding free energies were predicted and calculated using AutoDock Vina along with physicochemical and structural properties of the NPs, using PaDEL descriptors. These were compared to the established inhibitor (control) drugs for each mycobacterial target. The specific interactions of the bisbenzylisoquinoline alkaloids 2-nortiliacorinine, tiliacorine and 13’-bromotiliacorinine against the targets PknB and DprE1 (-11.4, -10.9 and -9.8 kcal.mol-1 ; -12.7, -10.9 and -10.3 kcal.mol-1 , respectively) and the lignan αcubebin and Pks13 (-11.0 kcal.mol-1 ) had significantly superior docking scores compared to controls. Our approach can be used to suggest predicted targets for the NP to be validated experimentally but these in silico steps are likely to facilitate drug optimisation.

scholarly journals Ethylcellulose nanoparticles as a new “in vitro” transfection tool for antisense oligonucleotide delivery

2020 ◽  
Vol 229 ◽  
pp. 115451 ◽  
Author(s):  
S. Leitner ◽  
S. Grijalvo ◽  
C. Solans ◽  
R. Eritja ◽  
M.J. García-Celma ◽  
...  
Keyword(s):  
Antisense Oligonucleotide ◽  
Oligonucleotide Delivery ◽  
In Vitro Transfection

Ribotoxin-like proteins from Boletus edulis: structural properties, cytotoxicity and in vitro digestibility

2021 ◽  
Vol 359 ◽  
pp. 129931
Author(s):  
Nicola Landi ◽  
Sara Ragucci ◽  
Rosanna Culurciello ◽  
Rosita Russo ◽  
Mariangela Valletta ◽  
...  
Keyword(s):  
Structural Properties ◽  
In Vitro Digestibility ◽  
Boletus Edulis

Effects of continuous and intermittent retrogradation treatments on in vitro digestibility and structural properties of waxy wheat starch

2015 ◽  
Vol 174 ◽  
pp. 31-36 ◽  
Author(s):  
Xiao-Pei Hu ◽  
Ting-Ting Huang ◽  
Ji-Qiang Mei ◽  
Zheng-Yu Jin ◽  
Xue-Ming Xu ◽  
...  
Keyword(s):  
Structural Properties ◽  
Wheat Starch ◽  
In Vitro Digestibility ◽  
Waxy Wheat

Hydrogen molecules can modulate enzymatic activity and structural properties of pepsin in vitro

2020 ◽  
Vol 189 ◽  
pp. 110856
Author(s):  
Jie Cheng ◽  
Chao Tang ◽  
Xueling Li ◽  
Jun Hu ◽  
Junhong Lü
Keyword(s):  
Enzymatic Activity ◽  
Structural Properties ◽  
Hydrogen Molecules
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