Reverse pharmacophore mapping and molecular docking studies for discovery of GTPase HRas as promising drug target for bis-pyrimidine derivatives.

Sanjiv KumarJagbir SinghBalasubramanian NarasimhanSyed Adnan Ali ShahSiong Meng LimKalavathy RamasamyVasudevan Mani

Published in: Chemistry Central journal (2018)

From the results, we may conclude that GTPase HRas as a possible target of studied bis-pyrimidine derivatives where the retrieved information may be quite useful for rational drug designing.

Keyphrases

molecular docking
molecular dynamics simulations
ionic liquid
high resolution
structure activity relationship
adverse drug
emergency department
case control
molecular dynamics
mass spectrometry
solid state