Fragment library design considerations

2012 ◽  
Vol 2 (6) ◽  
pp. 868-885 ◽  
Author(s):  
Susan M. Boyd ◽  
Andrew P. Turnbull ◽  
Björn Walse
Keyword(s):  
Library Design ◽  
Design Considerations ◽  
Fragment Library

scholarly journals Fragment library design, synthesis and expansion: nurturing a synthesis and training platform

2017 ◽  
Vol 22 (1) ◽  
pp. 43-56 ◽  
Author(s):  
Peter C. Ray ◽  
Michael Kiczun ◽  
Margaret Huggett ◽  
Andrew Lim ◽  
Federica Prati ◽  
...  
Keyword(s):  
Library Design ◽  
Design Synthesis ◽  
Fragment Library ◽  
And Training

Fragment library design: efficiently hunting drugs in chemical space

2010 ◽  
Vol 7 (3) ◽  
pp. e173-e180 ◽  
Author(s):  
Susan M. Boyd ◽  
Gerdien E. de Kloe
Keyword(s):  
Chemical Space ◽  
Library Design ◽  
Fragment Library

Fragments: where are we now?

2020 ◽  
Vol 48 (1) ◽  
pp. 271-280 ◽  
Author(s):  
James Osborne ◽  
Stanislava Panova ◽  
Magdalini Rapti ◽  
Tatsuya Urushima ◽  
Harren Jhoti
Keyword(s):  
Drug Discovery ◽  
Drug Administration ◽  
Clinical Studies ◽  
Food And Drug Administration ◽  
Library Design ◽  
Lead Optimisation ◽  
Fragment Library ◽  
The Future ◽  
Fragment Based Drug Discovery

Fragment-based drug discovery (FBDD) has become a mainstream technology for the identification of chemical hit matter in drug discovery programs. To date, the food and drug administration has approved four drugs, and over forty compounds are in clinical studies that can trace their origins to a fragment-based screen. The challenges associated with implementing an FBDD approach are many and diverse, ranging from the library design to developing methods for identifying weak affinity compounds. In this article, we give an overview of current progress in fragment library design, fragment to lead optimisation and on the advancement in techniques used for screening. Finally, we will comment on the future opportunities and challenges in this field.

Morphological behavior of compatibilized ternary blends prepared by mechanical mixing

1993 ◽  
Vol 51 ◽  
pp. 1200-1201
Author(s):  
S.D. Smith ◽  
R.J. Spontak ◽  
D.H. Melik ◽  
S.M. Buehler ◽  
K.M. Kerr ◽  
...  
Keyword(s):  
Interfacial Adhesion ◽  
Diblock Copolymers ◽  
Ternary Blends ◽  
Mechanical Mixing ◽  
Design Considerations ◽  
Covalently Bonded ◽  
Homopolymer Blends ◽  
Emulsifying Agent ◽  
Surface Active ◽  
Low Entropy

When blended together, homopolymers A and B will normally macrophase-separate into relatively large (≫1 μm) A-rich and B-rich phases, between which exists poor interfacial adhesion, due to a low entropy of mixing. The size scale of phase separation in such a blend can be reduced, and the extent of interfacial A-B contact and entanglement enhanced, via addition of an emulsifying agent such as an AB diblock copolymer. Diblock copolymers consist of a long sequence of A monomers covalently bonded to a long sequence of B monomers. These materials are surface-active and decrease interfacial tension between immiscible phases much in the same way as do small-molecule surfactants. Previous studies have clearly demonstrated the utility of block copolymers in compatibilizing homopolymer blends and enhancing blend properties such as fracture toughness. It is now recognized that optimization of emulsified ternary blends relies upon design considerations such as sufficient block penetration into a macrophase (to avoid block slip) and prevention of a copolymer multilayer at the A-B interface (to avoid intralayer failure).

Theoretical And Practical Design Considerations for Ultra-High Resolution Electron Lenses

1980 ◽  
Vol 38 ◽  
pp. 266-269
Author(s):  
Y. Harada ◽  
K. Tsuno ◽  
Y. Arai
Keyword(s):  
Optical Properties ◽  
High Resolution ◽  
Chromatic Aberration ◽  
Point Of View ◽  
Pole Piece ◽  
Axial Field ◽  
Design Considerations ◽  
Resolution Electron ◽  
Practical Design ◽  
Peak Flux

Magnetic objective lenses, from the point of view of pole piece geometry, can he roughly classified into two types, viz., symmetrical and asymmetrical. In the case of the former, the optical properties have been calculated by several authors1-3) and the results would appear to suggest that, in order to reduce the spherical and chromatic aberration coefficients, Cs and Cc, it is necessary to decrease the half-width value of the axial field distribution and to increase the peak flux density. The expressions for either minimum Cs or minimum Cc were presented in the form of ‘universal’ curves by Mulvey and Wallington4).

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