Rational Design and 3D-Pharmacophore Mapping of 5′-Thiourea-Substituted α-Thymidine Analogues as Mycobacterial TMPK Inhibitors

2009 ◽  
Vol 49 (4) ◽  
pp. 1070-1078 ◽  
Author(s):  
Carolina H. Andrade ◽  
Kerly F. M. Pasqualoto ◽  
Elizabeth I. Ferreira ◽  
Anton J. Hopfinger
Keyword(s):  
Rational Design ◽  
Pharmacophore Mapping ◽  
3D Pharmacophore

3D-Pharmacophore mapping of thymidine-based inhibitors of TMPK as potential antituberculosis agents

2010 ◽  
Vol 24 (2) ◽  
pp. 157-172 ◽  
Author(s):  
Carolina Horta Andrade ◽  
Kerly F. M. Pasqualoto ◽  
Elizabeth I. Ferreira ◽  
Anton J. Hopfinger
Keyword(s):  
Pharmacophore Mapping ◽  
3D Pharmacophore

Predicting Novel Antitumor Agents: 3D-Pharmacophore Mapping of β-N -biaryl Ether Sulfonamide-Based Hydroxamates as Potentially MMP-2 Inhibitors

2014 ◽  
Vol 33 (9) ◽  
pp. 573-587 ◽  
Author(s):  
Kely Medeiros Turra ◽  
Diogo Pineda Rivelli ◽  
Silvia Berlanga de Moraes Barros ◽  
Kerly Fernanda Mesquita Pasqualoto
Keyword(s):  
Antitumor Agents ◽  
Pharmacophore Mapping ◽  
3D Pharmacophore ◽  
Biaryl Ether

Molecular insights on the dynamic stability of peptide nucleic acid functionalized carbon and boron nitride nanotubes

2021 ◽  
Vol 23 (1) ◽  
pp. 219-228
Author(s):  
Nabanita Saikia ◽  
Mohamed Taha ◽  
Ravindra Pandey
Keyword(s):  
Nucleic Acid ◽  
Boron Nitride ◽  
Nucleic Acids ◽  
Dynamic Stability ◽  
Peptide Nucleic Acid ◽  
Rational Design ◽  
Peptide Nucleic Acids ◽  
Boron Nitride Nanotubes ◽  
Molecular Hybrids ◽  
Single Wall Nanotubes

The rational design of self-assembled nanobio-molecular hybrids of peptide nucleic acids with single-wall nanotubes rely on understanding how biomolecules recognize and mediate intermolecular interactions with the nanomaterial's surface.

Optimizing electron density of nickel sulfide electrocatalysts through sulfur vacancy engineering for alkaline hydrogen evolution

2020 ◽  
Vol 8 (35) ◽  
pp. 18207-18214
Author(s):  
Dongbo Jia ◽  
Lili Han ◽  
Ying Li ◽  
Wenjun He ◽  
Caichi Liu ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Electron Density ◽  
Rational Design ◽  
Nickel Sulfide ◽  
Catalytic Performance ◽  
Sulfide Catalysts ◽  
Sulfur Vacancy

A novel, rational design for porous S-vacancy nickel sulfide catalysts with remarkable catalytic performance for alkaline HER.

Rational design of annotine analogues with increased inhibitory activity towards acetylcholinesterase

Planta Medica ◽  
2016 ◽  
Vol 81 (S 01) ◽  
pp. S1-S381
Author(s):  
ES Halldorsdottir ◽  
S Oddsson ◽  
AM Einarsdottir ◽  
B Eiriksdottir ◽  
NM Kowal ◽  
...  
Keyword(s):  
Inhibitory Activity ◽  
Rational Design
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