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Negative allosteric modulators of cannabinoid receptor 1: Ternary complexes including CB1, orthosteric CP55940 and allosteric ORG27569.
J Biomol Struct Dyn. 2022 Aug;40(13):5729-5747. doi: 10.1080/07391102.2021.1873187. Epub 2021 Jan 22.
J Biomol Struct Dyn. 2022.
PMID: 33480332
Structure-Based Identification of Potent Natural Product Chemotypes as Cannabinoid Receptor 1 Inverse Agonists.
Pandey P, Roy KK, Liu H, Ma G, Pettaway S, Alsharif WF, Gadepalli RS, Rimoldi JM, McCurdy CR, Cutler SJ, Doerksen RJ.
Pandey P, et al.
Molecules. 2018 Oct 13;23(10):2630. doi: 10.3390/molecules23102630.
Molecules. 2018.
PMID: 30322136
Free PMC article.
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Influence of structural characteristics on the binding of synthetic cannabinoids from the JWH family to the CB1 receptor: A computational study.
Chaturvedi K, Anthony CS, Pandey P, Doerksen RJ, Godfrey M.
Chaturvedi K, et al.
J Mol Graph Model. 2024 Jan;126:108620. doi: 10.1016/j.jmgm.2023.108620. Epub 2023 Sep 4.
J Mol Graph Model. 2024.
PMID: 37722351
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Negative allosteric modulators of cannabinoid receptor 2: protein modeling, binding site identification and molecular dynamics simulations in the presence of an orthosteric agonist.
Pandey P, Roy KK, Doerksen RJ.
Pandey P, et al.
J Biomol Struct Dyn. 2020 Jan;38(1):32-47. doi: 10.1080/07391102.2019.1567384. Epub 2019 Feb 5.
J Biomol Struct Dyn. 2020.
PMID: 30652534
Free PMC article.
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Selective Cannabinoid 2 Receptor Stimulation Reduces Tubular Epithelial Cell Damage after Renal Ischemia-Reperfusion Injury.
Pressly JD, Mustafa SM, Adibi AH, Alghamdi S, Pandey P, Roy KK, Doerksen RJ, Moore BM Jr, Park F.
Pressly JD, et al.
J Pharmacol Exp Ther. 2018 Feb;364(2):287-299. doi: 10.1124/jpet.117.245522. Epub 2017 Nov 29.
J Pharmacol Exp Ther. 2018.
PMID: 29187590
Free PMC article.
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