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Items: 1 to 50 of 63

1.

Interactions of endocannabinoid virodhamine and related analogs with human monoamine oxidase-A and -B.

Pandey P, Chaurasiya ND, Tekwani BL, Doerksen RJ.

Biochem Pharmacol. 2018 Jun 26;155:82-91. doi: 10.1016/j.bcp.2018.06.024. [Epub ahead of print]

PMID:
29958841
2.

Agonists of the γ-aminobutyric acid type B (GABAB) receptor derived from β-hydroxy and β-amino difluoromethyl ketones.

Sowaileh MF, Salyer AE, Roy KK, John JP, Woods JR, Doerksen RJ, Hockerman GH, Colby DA.

Bioorg Med Chem Lett. 2018 Apr 7. pii: S0960-894X(18)30301-9. doi: 10.1016/j.bmcl.2018.04.003. [Epub ahead of print]

PMID:
29657102
3.

Hepatoprotective Dibenzocyclooctadiene and Tetrahydrobenzocyclooctabenzofuranone Lignans from Kadsura longipedunculata.

Liu J, Pandey P, Wang X, Qi X, Chen J, Sun H, Zhang P, Ding Y, Ferreira D, Doerksen RJ, Hamann MT, Li S.

J Nat Prod. 2018 Apr 27;81(4):846-857. doi: 10.1021/acs.jnatprod.7b00934. Epub 2018 Mar 29.

PMID:
29595972
4.

Antimalarial naphthoquinones. Synthesis via click chemistry, in vitro activity, docking to PfDHODH and SAR of lapachol-based compounds.

Brandão GC, Rocha Missias FC, Arantes LM, Soares LF, Roy KK, Doerksen RJ, Braga de Oliveira A, Pereira GR.

Eur J Med Chem. 2018 Feb 10;145:191-205. doi: 10.1016/j.ejmech.2017.12.051. Epub 2017 Dec 24.

PMID:
29324340
5.

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.

J Pharmacol Exp Ther. 2018 Feb;364(2):287-299. doi: 10.1124/jpet.117.245522. Epub 2017 Nov 29.

PMID:
29187590
6.

Assignment of the absolute configuration of hepatoprotective highly oxygenated triterpenoids using X-ray, ECD, NMR J-based configurational analysis and HSQC overlay experiments.

Wang X, Liu J, Pandey P, Chen J, Fronczek FR, Parnham S, Qi X, Doerksen RJ, Ferreira D, Sun H, Li S, Hamann MT.

Biochim Biophys Acta. 2017 Dec;1861(12):3089-3095. doi: 10.1016/j.bbagen.2017.09.001. Epub 2017 Sep 15.

PMID:
28919469
7.

In silico investigation of lavandulyl flavonoids for the development of potent fatty acid synthase-inhibitory prototypes.

Oh J, Liu H, Park HB, Ferreira D, Jeong GS, Hamann MT, Doerksen RJ, Na M.

Biochim Biophys Acta. 2017 Jan;1861(1 Pt A):3180-3188. doi: 10.1016/j.bbagen.2016.08.001. Epub 2016 Aug 13.

8.

Methemoglobinemia Hemotoxicity of Some Antimalarial 8-Aminoquinoline Analogues and Their Hydroxylated Derivatives: Density Functional Theory Computation of Ionization Potentials.

Ding Y, Liu H, Tekwani BL, Nanayakkara NP, Khan IA, Walker LA, Doerksen RJ.

Chem Res Toxicol. 2016 Jul 18;29(7):1132-41. doi: 10.1021/acs.chemrestox.6b00063. Epub 2016 Jul 1.

PMID:
27223244
9.

Data in support of optimized production of angiotensin-I converting enzyme inhibitory peptides derived from proteolytic hydrolysate of bitter melon seed proteins.

Priyanto AD, Doerksen RJ, Chang CI, Sung WC, Widjanarko SB, Kusnadi J, Lin YC, Wang TC, Hsu JL.

Data Brief. 2015 Oct 9;5:403-7. doi: 10.1016/j.dib.2015.09.038. eCollection 2015 Dec.

10.

Screening, discovery, and characterization of angiotensin-I converting enzyme inhibitory peptides derived from proteolytic hydrolysate of bitter melon seed proteins.

Priyanto AD, Doerksen RJ, Chang CI, Sung WC, Widjanarko SB, Kusnadi J, Lin YC, Wang TC, Hsu JL.

J Proteomics. 2015 Oct 14;128:424-35. doi: 10.1016/j.jprot.2015.08.018. Epub 2015 Sep 3.

PMID:
26344130
11.

C≡N stretching vibration of 5-cyanotryptophan as an infrared probe of protein local environment: what determines its frequency?

Zhang W, Markiewicz BN, Doerksen RS, Smith AB III, Gai F.

Phys Chem Chem Phys. 2016 Mar 14;18(10):7027-34. doi: 10.1039/c5cp04413h.

12.

Nitroreductase-triggered activation of a novel caged fluorescent probe obtained from methylene blue.

Bae J, McNamara LE, Nael MA, Mahdi F, Doerksen RJ, Bidwell GL 3rd, Hammer NI, Jo S.

Chem Commun (Camb). 2015 Aug 18;51(64):12787-90. doi: 10.1039/c5cc03824c.

13.

Clotrimazole-cyclodextrin based approach for the management and treatment of Candidiasis - A formulation and chemistry-based evaluation.

Mohammed NN, Pandey P, Khan NS, Elokely KM, Liu H, Doerksen RJ, Repka MA.

Pharm Dev Technol. 2016 Aug;21(5):619-29. doi: 10.3109/10837450.2015.1041041. Epub 2015 Apr 29.

14.

Activation of the γ-Aminobutyric Acid Type B (GABA(B)) Receptor by Agonists and Positive Allosteric Modulators.

Brown KM, Roy KK, Hockerman GH, Doerksen RJ, Colby DA.

J Med Chem. 2015 Aug 27;58(16):6336-47. doi: 10.1021/jm5018913. Epub 2015 Apr 24. Review.

PMID:
25856547
15.

Screening and profiling stilbene-type natural products with angiotensin-converting enzyme inhibitory activity from Ampelopsis brevipedunculata var. hancei (Planch.) Rehder.

Su PS, Doerksen RJ, Chen SH, Sung WC, Juan CC, Rawendra RD, Chen CR, Li JW, Aisha, Huang TC, Liao MH, Chang CI, Hsu JL.

J Pharm Biomed Anal. 2015 Apr 10;108:70-7. doi: 10.1016/j.jpba.2015.01.053. Epub 2015 Feb 7.

PMID:
25710905
16.

Discovery of thienoquinolone derivatives as selective and ATP non-competitive CDK5/p25 inhibitors by structure-based virtual screening.

Chatterjee A, Cutler SJ, Doerksen RJ, Khan IA, Williamson JS.

Bioorg Med Chem. 2014 Nov 15;22(22):6409-21. doi: 10.1016/j.bmc.2014.09.043. Epub 2014 Sep 28.

17.
18.

Quantitative Structure-Activity Relationship Analysis and a Combined Ligand-Based/Structure-Based Virtual Screening Study for Glycogen Synthase Kinase-3.

Fu G, Liu S, Nan X, Dale OR, Zhao Z, Chen Y, Wilkins DE, Manly SP, Cutler SJ, Doerksen RJ.

Mol Inform. 2014 Sep;33(9):627-40. doi: 10.1002/minf.201400045. Epub 2014 Sep 2.

PMID:
27486081
19.

Pharmacophore Modeling, Ensemble Docking, Virtual Screening, and Biological Evaluation on Glycogen Synthase Kinase-3β.

Fu G, Sivaprakasam P, Dale OR, Manly SP, Cutler SJ, Doerksen RJ.

Mol Inform. 2014 Sep;33(9):610-26. doi: 10.1002/minf.201400044. Epub 2014 Sep 2.

PMID:
27486080
20.

Asphodosides A-E, anti-MRSA metabolites from Asphodelus microcarpus.

Ghoneim MM, Elokely KM, El-Hela AA, Mohammad AE, Jacob M, Radwan MM, Doerksen RJ, Cutler SJ, Ross SA.

Phytochemistry. 2014 Sep;105:79-84. doi: 10.1016/j.phytochem.2014.06.011. Epub 2014 Jul 14.

21.

Isolation and characterization of new secondary metabolites from Asphodelus microcarpus.

Ghoneim MM, Elokely KM, El-Hela AA, Mohammad AE, Jacob M, Cutler SJ, Doerksen RJ, Ross SA.

Med Chem Res. 2014 Jul;23(7):3510-3515. Epub 2014 Feb 11.

22.

Hydroxylated derivatives of NPC1161: theoretical insights into their potential toxicity and the feasibility and regioselectivity of their formation.

Ding Y, Liu H, Nanayakkara NP, Khan IA, Tekwani BL, Walker LA, Doerksen RJ.

J Phys Chem A. 2014 Jul 24;118(29):5501-7. doi: 10.1021/jp502612t. Epub 2014 Jul 11.

23.

Drug activity prediction using multiple-instance learning via joint instance and feature selection.

Zhao Z, Fu G, Liu S, Elokely KM, Doerksen RJ, Chen Y, Wilkins DE.

BMC Bioinformatics. 2013;14 Suppl 14:S16. doi: 10.1186/1471-2105-14-S14-S16. Epub 2013 Oct 9.

24.

Methemoglobin generation by 8-aminoquinolines: effect of substitution at 5-position of primaquine.

Liu H, Tekwani BL, Nanayakkara NP, Walker LA, Doerksen RJ.

Chem Res Toxicol. 2013 Dec 16;26(12):1801-9. doi: 10.1021/tx400067a. Epub 2013 Nov 13.

PMID:
24224488
25.

Significance of endangered and threatened plant natural products in the control of human disease.

Ibrahim MA, Na M, Oh J, Schinazi RF, McBrayer TR, Whitaker T, Doerksen RJ, Newman DJ, Zachos LG, Hamann MT.

Proc Natl Acad Sci U S A. 2013 Oct 15;110(42):16832-7. doi: 10.1073/pnas.1311528110. Epub 2013 Sep 30.

26.
27.

A novel natural phenyl alkene with cytotoxic activity.

Hwang IH, Oh J, Kochanowska-Karamyan A, Doerksen RJ, Na M, Hamann MT.

Tetrahedron Lett. 2013 Jul 17;54(29):3872-3876. Epub 2013 May 18.

28.

Configurational assignments of conformationally restricted bis-monoterpene hydroquinones: utility in exploration of endangered plants.

Oh J, Bowling JJ, Zou Y, Chittiboyina AG, Doerksen RJ, Ferreira D, Leininger TD, Hamann MT.

Biochim Biophys Acta. 2013 Aug;1830(8):4229-34. doi: 10.1016/j.bbagen.2013.04.029. Epub 2013 Apr 26.

29.

Docking challenge: protein sampling and molecular docking performance.

Elokely KM, Doerksen RJ.

J Chem Inf Model. 2013 Aug 26;53(8):1934-45. doi: 10.1021/ci400040d. Epub 2013 Apr 15.

30.

Computationally assisted assignment of kahalalide Y configuration using an NMR-constrained conformational search.

Albadry MA, Elokely KM, Wang B, Bowling JJ, Abdelwahab MF, Hossein MH, Doerksen RJ, Hamann MT.

J Nat Prod. 2013 Feb 22;76(2):178-85. doi: 10.1021/np3006088. Epub 2013 Jan 30.

31.

Implementation of multiple-instance learning in drug activity prediction.

Fu G, Nan X, Liu H, Patel RY, Daga PR, Chen Y, Wilkins DE, Doerksen RJ.

BMC Bioinformatics. 2012;13 Suppl 15:S3. doi: 10.1186/1471-2105-13-S15-S3. Epub 2012 Sep 11.

32.

Computational Study on the Conformations of Gambogic Acid.

Liu H, Dasmahapatra A, Doerksen RJ.

Chem Phys Lett. 2011 Aug 5;511(4-6):405-412.

33.

Combined rule extraction and feature elimination in supervised classification.

Liu S, Patel RY, Daga PR, Liu H, Fu G, Doerksen RJ, Chen Y, Wilkins DE.

IEEE Trans Nanobioscience. 2012 Sep;11(3):228-36. doi: 10.1109/TNB.2012.2213264.

PMID:
22987128
34.

Quantitative structure-activity relationships of imidazole-containing farnesyltransferase inhibitors using different chemometric methods.

Shayanfar A, Ghasemi S, Soltani S, Asadpour-Zeynali K, Doerksen RJ, Jouyban A.

Med Chem. 2013 May;9(3):434-48.

PMID:
22920090
35.

Molecular modeling to provide insight into the substrate binding and catalytic mechanism of human biliverdin-IXα reductase.

Fu G, Liu H, Doerksen RJ.

J Phys Chem B. 2012 Aug 16;116(32):9580-94. doi: 10.1021/jp301456j. Epub 2012 Aug 7.

36.

Leveraging domain information to restructure biological prediction.

Nan X, Fu G, Zhao Z, Liu S, Patel RY, Liu H, Daga PR, Doerksen RJ, Dang X, Chen Y, Wilkins D.

BMC Bioinformatics. 2011 Oct 18;12 Suppl 10:S22. doi: 10.1186/1471-2105-12-S10-S22.

37.

Natural prenylated resveratrol analogs arachidin-1 and -3 demonstrate improved glucuronidation profiles and have affinity for cannabinoid receptors.

Brents LK, Medina-Bolivar F, Seely KA, Nair V, Bratton SM, Nopo-Olazabal L, Patel RY, Liu H, Doerksen RJ, Prather PL, Radominska-Pandya A.

Xenobiotica. 2012 Feb;42(2):139-56. doi: 10.3109/00498254.2011.609570. Epub 2011 Oct 4.

38.

DFT study on the radical anions formed by primaquine and its derivatives.

Liu H, Walker LA, Doerksen RJ.

Chem Res Toxicol. 2011 Sep 19;24(9):1476-85. doi: 10.1021/tx200094v. Epub 2011 Jul 7.

39.

Computational Study on the Conformations of Mitragynine and Mitragynaline.

Liu H, McCurdy CR, Doerksen RJ.

Theochem. 2010 Apr 15;945(1-3):57-63.

40.

Methemoglobinemia caused by 8-aminoquinoline drugs: DFT calculations suggest an analogy to H4B's role in nitric oxide synthase.

Liu H, Walker LA, Nanayakkara NP, Doerksen RJ.

J Am Chem Soc. 2011 Feb 9;133(5):1172-5. doi: 10.1021/ja107472c. Epub 2011 Jan 18.

41.

Protein kinase-inhibitor database: structural variability of and inhibitor interactions with the protein kinase P-loop.

Patel RY, Doerksen RJ.

J Proteome Res. 2010 Sep 3;9(9):4433-42. doi: 10.1021/pr100662s.

42.

Biochemical and structural consequences of a glycine deletion in the alpha-8 helix of protoporphyrinogen oxidase.

Dayan FE, Daga PR, Duke SO, Lee RM, Tranel PJ, Doerksen RJ.

Biochim Biophys Acta. 2010 Jul;1804(7):1548-56. doi: 10.1016/j.bbapap.2010.04.004. Epub 2010 Apr 23.

PMID:
20399914
43.

Computational model of hepatitis B virus DNA polymerase: molecular dynamics and docking to understand resistant mutations.

Daga PR, Duan J, Doerksen RJ.

Protein Sci. 2010 Apr;19(4):796-807. doi: 10.1002/pro.359.

44.

Structure-activity relationship and mechanism of action studies of manzamine analogues for the control of neuroinflammation and cerebral infections.

Peng J, Kudrimoti S, Prasanna S, Odde S, Doerksen RJ, Pennaka HK, Choo YM, Rao KV, Tekwani BL, Madgula V, Khan SI, Wang B, Mayer AM, Jacob MR, Tu LC, Gertsch J, Hamann MT.

J Med Chem. 2010 Jan 14;53(1):61-76. doi: 10.1021/jm900672t.

45.

Template-based protein modeling: recent methodological advances.

Daga PR, Patel RY, Doerksen RJ.

Curr Top Med Chem. 2010;10(1):84-94. Review.

46.

Three-dimensional quantitative structure-farnesyltransferase inhibition analysis for some diaminobenzophenones.

Xie A, Clark SR, Prasanna S, Doerksen RJ.

J Enzyme Inhib Med Chem. 2009 Dec;24(6):1220-8. doi: 10.3109/14756360902781389.

PMID:
19912055
47.

Semisynthetic latrunculin B analogs: studies of actin docking support a proposed mechanism for latrunculin bioactivity.

Kudrimoti S, Ahmed SA, Daga PR, Wahba AE, Khalifa SI, Doerksen RJ, Hamann MT.

Bioorg Med Chem. 2009 Nov 1;17(21):7517-22. doi: 10.1016/j.bmc.2009.09.012. Epub 2009 Sep 16.

48.

Structure-activity relationship and comparative docking studies for cycloguanil analogs as PfDHFR-TS inhibitors.

Sivaprakasam P, Tosso PN, Doerksen RJ.

J Chem Inf Model. 2009 Jul;49(7):1787-96. doi: 10.1021/ci9000663.

49.

Imidazole-containing farnesyltransferase inhibitors: 3D quantitative structure-activity relationships and molecular docking.

Xie A, Odde S, Prasanna S, Doerksen RJ.

J Comput Aided Mol Des. 2009 Jul;23(7):431-48. doi: 10.1007/s10822-009-9278-z. Epub 2009 May 29.

PMID:
19479325
50.

Topological polar surface area: a useful descriptor in 2D-QSAR.

Prasanna S, Doerksen RJ.

Curr Med Chem. 2009;16(1):21-41. Review.

PMID:
19149561

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