Predicting the molecular interactions of CRIP1a-cannabinoid 1 receptor with integrated molecular modeling approaches.
Cannabinoid receptors are a family of G-protein coupled receptors that are involved in a wide variety of physiological processes and diseases. One of the key regulators that are unique to cannabinoid receptors is the cannabinoid receptor interacting proteins (CRIPs). Among them CRIP1a was found to decrease the constitutive activity of the cannabinoid type-1 receptor (CB1R). The aim of this study is to gain an understanding of the interaction between CRIP1a and CB1R through using different computational techniques. The generated model demonstrated several key putative interactions between CRIP1a and CB1R, including the critical involvement of Lys130 in CRIP1a.
Department of Medicinal Chemistry, Virginia Commonwealth University, Richmond, VA 23298, USA; Institute for Structural Biology and Drug Discovery, Virginia Commonwealth University, Richmond, VA 23298, USA.
Mostafa H
MH
Ahmed
Department of Medicinal Chemistry, Virginia Commonwealth University, Richmond, VA 23298, USA; Institute for Structural Biology and Drug Discovery, Virginia Commonwealth University, Richmond, VA 23298, USA; Center for the Study of Biological Complexity, Virginia Commonwealth University, Richmond, VA 23298, USA.
Glen E
GE
Kellogg
Department of Pharmacology and Toxicology, Virginia Commonwealth University, Richmond, VA 23298, USA.
Dana E
DE
Selley
Department of Medicinal Chemistry, Virginia Commonwealth University, Richmond, VA 23298, USA; Institute for Structural Biology and Drug Discovery, Virginia Commonwealth University, Richmond, VA 23298, USA.
Martin K
MK
Safo
Department of Medicinal Chemistry, Virginia Commonwealth University, Richmond, VA 23298, USA. Electronic address: yzhang2@vcu.edu.
Yan
Y
Zhang
D002352:Carrier Proteins / Q000737:chemistry*; D006801:Humans; D060588:LIM Domain Proteins / Q000737:chemistry*; D008958:Models, Molecular; D043884:Receptor, Cannabinoid, CB1 / Q000737:chemistry*
C486181:CRIP1 protein, human; D002352:Carrier Proteins; D060588:LIM Domain Proteins; D043884:Receptor, Cannabinoid, CB1
CB(1)R; CRIP1a; Cannabinoid receptor; Protein threading; Protein–protein docking