Sentence examples for by molecular simplification using from inspiring English sources

Thus, the goal of this study was to explore the antinociceptive potential, safety and mechanism of action of novel 1-pyrazole methyl ester derivatives, which were designed by molecular simplification, using in vivo and in vitro methods in mice.

Molecular modeling studies using semiempirical AM1 method were made in order to establish rational modifications to optimize them by molecular simplification.

This series was planned by molecular simplification of prototype 1 (LASSBio-1018), previously described as a non-selective cyclooxygenase inhibitor.

The original Garland/Heckbert Siggraph '97 paper on mesh simplification: Surface Simplification Using Quadric Error Metrics.

The structures were determined by molecular replacement using Phaser and using Pvs25 as a search model46.

Such simplification used by Priebe [10] to calculate the shear values of the improved ground.

Constraint set simplification uses a function defined in Fig. 5 by means of judgements of the form (Theta, Phi vdash ^mathtt{simp }P leadsto Q).

Analogues of 8-chloro-N- 3-morpholinopropyl -5H-pyrimido[5,4-b]indol-4-amine 1, a known cruzain inhibitor, were synthesized using a molecular simplification strategy.

These compounds were planned by applying the molecular simplification strategy to propose the structural modifications on the previously described functionalized imidazo[1,2-a]pyridine 3-acylhydrazone series (2), which presented an important analgesic profile.

However, the validity of the pore network models is always limited by the approximations and simplifications used (Ferrari and Lunati 2013).

This paper describes the synthesis and the in vitro antimalarial profile of two new imidazo[1,2-a]pyridine derivatives 4·HCl and 13·HCl, structurally proposed as mefloquine (1) analogues, by exploring bioisosterism and molecular simplification tools.