Analysis of in silico stereoelectronic properties of PMD (p-menthane-3-8-diols) and its derivatives to develop a pharmacophore for insect repellent activity
Poster Jul 03, 2008
PMD, an insect repellent that can be derived from steam distillate residue of leaves of lemon eucalyptus. No QSAR studies are known in literature. We performed ab initio (RHF/6-31G**) study of PMD derivatives. A 3D pharmacophore for repellent activity was also developed. Results indicate lipophilicity, MEP separation and localized negative MEP by oxygen atom have roles for repellency. The pharmacophore is consistent and allowed design of more effective insect repellents.
Exploiting Polypharmacology in Precision Oncology: Identification of Differential Kinase Off-targets Among Clinical PARP InhibitorsPoster
Can we use computational methods to identify previously unknown off-targets of PARP inhibitors that can explain their observed differences?READ MORE
Bioluminescent Assay for GTPases Allows Measurement of GTPase, GAP and GEF ActivitiesPoster
We have developed a homogenous bioluminescent assay (GTPase-Glo) system to analyze these proteins in a simple, convenient “add-mix-read” format.READ MORE
NanoBRET™ Assays for Monitoring Protein Interactions in Living CellsPoster
NanoBRET PPI System is composed of two components.
NanoBRET offers improved S:B over other BRET assays.
NanoBRET provides sensitive live-cell method to study protein interactions.