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Items: 1 to 20 of 80

1.

Identification of CB1 Receptor Allosteric Sites Using Force-Biased MMC Simulated Annealing and Validation by Structure-Activity Relationship Studies.

Hurst DP, Garai S, Kulkarni PM, Schaffer PC, Reggio PH, Thakur GA.

ACS Med Chem Lett. 2019 Jul 10;10(8):1216-1221. doi: 10.1021/acsmedchemlett.9b00256. eCollection 2019 Aug 8.

PMID:
31413808
2.

Accelerating Membrane Simulations with Hydrogen Mass Repartitioning.

Balusek C, Hwang H, Lau CH, Lundquist K, Hazel A, Pavlova A, Lynch DL, Reggio PH, Wang Y, Gumbart JC.

J Chem Theory Comput. 2019 Aug 13;15(8):4673-4686. doi: 10.1021/acs.jctc.9b00160. Epub 2019 Jul 2.

PMID:
31265271
3.

CBD: A New Hope?

Morales P, Reggio PH.

ACS Med Chem Lett. 2019 Apr 29;10(5):694-695. doi: 10.1021/acsmedchemlett.9b00127. eCollection 2019 May 9.

PMID:
31097982
4.

Towards A Molecular Understanding of The Cannabinoid Related Orphan Receptor GPR18: A Focus on Its Constitutive Activity.

Sotudeh N, Morales P, Hurst DP, Lynch DL, Reggio PH.

Int J Mol Sci. 2019 May 9;20(9). pii: E2300. doi: 10.3390/ijms20092300.

5.

Structural Insights into CB1 Receptor Biased Signaling.

Al-Zoubi R, Morales P, Reggio PH.

Int J Mol Sci. 2019 Apr 13;20(8). pii: E1837. doi: 10.3390/ijms20081837. Review.

6.

Cannabinoid Ligands Targeting TRP Channels.

Muller C, Morales P, Reggio PH.

Front Mol Neurosci. 2019 Jan 15;11:487. doi: 10.3389/fnmol.2018.00487. eCollection 2018. Review.

7.

( R)- N-(1-Methyl-2-hydroxyethyl)-13-( S)-methyl-arachidonamide (AMG315): A Novel Chiral Potent Endocannabinoid Ligand with Stability to Metabolizing Enzymes.

Liu Y, Ji L, Eno M, Kudalkar S, Li AL, Schimpgen M, Benchama O, Morales P, Xu S, Hurst D, Wu S, Mohammad KA, Wood JT, Zvonok N, Papahatjis DP, Zhou H, Honrao C, Mackie K, Reggio P, Hohmann AG, Marnett LJ, Makriyannis A, Nikas SP.

J Med Chem. 2018 Oct 11;61(19):8639-8657. doi: 10.1021/acs.jmedchem.8b00611. Epub 2018 Sep 21.

PMID:
30196704
8.

Synthesis, Pharmacological Evaluation, and Docking Studies of Novel Pyridazinone-Based Cannabinoid Receptor Type 2 Ligands.

Ragusa G, Bencivenni S, Morales P, Callaway T, Hurst DP, Asproni B, Merighi S, Loriga G, Pinna GA, Reggio PH, Gessi S, Murineddu G.

ChemMedChem. 2018 Jun 6;13(11):1102-1114. doi: 10.1002/cmdc.201800152. Epub 2018 Apr 16.

PMID:
29575721
9.

GPCRs Moonlighting as Scramblases: Mechanism Revealed.

Reggio PH.

Structure. 2018 Feb 6;26(2):184-186. doi: 10.1016/j.str.2018.01.014.

10.

Towards a better understanding of the cannabinoid-related orphan receptors GPR3, GPR6, and GPR12.

Morales P, Isawi I, Reggio PH.

Drug Metab Rev. 2018 Feb;50(1):74-93. doi: 10.1080/03602532.2018.1428616. Epub 2018 Feb 1. Review.

11.

An Update on Non-CB1, Non-CB2 Cannabinoid Related G-Protein-Coupled Receptors.

Morales P, Reggio PH.

Cannabis Cannabinoid Res. 2017 Oct 1;2(1):265-273. doi: 10.1089/can.2017.0036. eCollection 2017. Review.

12.

Molecular Dynamics Methodologies for Probing Cannabinoid Ligand/Receptor Interaction.

Lynch DL, Hurst DP, Shore DM, Pitman MC, Reggio PH.

Methods Enzymol. 2017;593:449-490. doi: 10.1016/bs.mie.2017.05.004. Epub 2017 Jul 4.

13.

Methods for the Development of In Silico GPCR Models.

Morales P, Hurst DP, Reggio PH.

Methods Enzymol. 2017;593:405-448. doi: 10.1016/bs.mie.2017.05.005. Epub 2017 Jul 14.

14.

Metabolic Profiling of CB1 Neutral Antagonists.

Seltzman HH, Maitra R, Bortoff K, Henson J, Reggio PH, Wesley D, Tam J.

Methods Enzymol. 2017;593:199-215. doi: 10.1016/bs.mie.2017.06.025. Epub 2017 Jul 10.

15.

An Overview on Medicinal Chemistry of Synthetic and Natural Derivatives of Cannabidiol.

Morales P, Reggio PH, Jagerovic N.

Front Pharmacol. 2017 Jun 28;8:422. doi: 10.3389/fphar.2017.00422. eCollection 2017. Review.

16.

Design, synthesis and biological evaluation of GPR55 agonists.

Fakhouri L, Cook CD, Al-Huniti MH, Console-Bram LM, Hurst DP, Spano MBS, Nasrallah DJ, Caron MG, Barak LS, Reggio PH, Abood ME, Croatt MP.

Bioorg Med Chem. 2017 Aug 15;25(16):4355-4367. doi: 10.1016/j.bmc.2017.06.016. Epub 2017 Jun 13.

17.

Molecular Targets of the Phytocannabinoids: A Complex Picture.

Morales P, Hurst DP, Reggio PH.

Prog Chem Org Nat Prod. 2017;103:103-131. doi: 10.1007/978-3-319-45541-9_4. Review.

18.

Identification of Crucial Amino Acid Residues Involved in Agonist Signaling at the GPR55 Receptor.

Lingerfelt MA, Zhao P, Sharir HP, Hurst DP, Reggio PH, Abood ME.

Biochemistry. 2017 Jan 24;56(3):473-486. doi: 10.1021/acs.biochem.6b01013. Epub 2017 Jan 11.

19.

Structure-activity relationships of benzothiazole GPR35 antagonists.

Abdalhameed MM, Zhao P, Hurst DP, Reggio PH, Abood ME, Croatt MP.

Bioorg Med Chem Lett. 2017 Feb 1;27(3):612-615. doi: 10.1016/j.bmcl.2016.12.012. Epub 2016 Dec 5.

20.

A dual substrate kinetic model for cytochrome P450BM3-F87G catalysis: simultaneous binding of long chain aldehydes and 4-fluorophenol.

Ledford C, McMahon M, Whitesell A, Khan G, Kandagatla SK, Hurst DP, Reggio PH, Raner GM.

Biotechnol Lett. 2017 Feb;39(2):311-321. doi: 10.1007/s10529-016-2252-7. Epub 2016 Nov 18.

PMID:
27864654

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