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Robert J. Doerksen - Publications

Affiliations: 
Medicinal Chemistry The University of Mississippi, USA 
Area:
Pharmacy, Bioinformatics Biology
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53 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Liu J, Pandey P, Wang X, Adams K, Qi X, Chen J, Sun H, Hou Q, Ferreira D, Doerksen RJ, Hamann MT, Li S. Hepatoprotective Tetrahydrobenzocyclooctabenzofuranone Lignans from . Journal of Natural Products. PMID 31556297 DOI: 10.1021/Acs.Jnatprod.9B00576  0.32
2019 Chaurasiya ND, Zhao J, Pandey P, Doerksen RJ, Muhammad I, Tekwani BL. Selective Inhibition of Human Monoamine Oxidase B by Acacetin 7-Methyl Ether Isolated from (Damiana). Molecules (Basel, Switzerland). 24. PMID 30813423 DOI: 10.3390/Molecules24040810  0.316
2019 Zou Y, Wang X, Sims J, Wang B, Pandey P, Welsh C, Stone RS, Avery MA, Doerksen RJ, Ferreira D, Anklin C, Valeriote FA, Kelly M, Hamann MT. Computationally-Assisted Discovery and Assignment of a Highly Strained and PANC-1 Selective Alkaloid from Alaska's Deep Ocean. Journal of the American Chemical Society. PMID 30758203 DOI: 10.1021/Jacs.8B11403  0.308
2019 Pandey P, Roy KK, Doerksen RJ. Negative Allosteric Modulators of Cannabinoid Receptor 2: Protein Modeling, Binding Site Identification and Molecular Dynamics Simulations in the Presence of an Orthosteric Agonist. Journal of Biomolecular Structure & Dynamics. 1-23. PMID 30652534 DOI: 10.1080/07391102.2019.1567384  0.338
2018 Pandey P, Roy KK, Liu H, Ma G, Pettaway S, Alsharif WF, Gadepalli RS, Rimoldi JM, McCurdy CR, Cutler SJ, Doerksen RJ. Structure-Based Identification of Potent Natural Product Chemotypes as Cannabinoid Receptor 1 Inverse Agonists. Molecules (Basel, Switzerland). 23. PMID 30322136 DOI: 10.3390/Molecules23102630  0.349
2018 Wang X, Liu J, Pandey P, Fronczek FR, Doerksen RJ, Chen J, Qi X, Zhang P, Ferreira D, Valeriote FA, Sun H, Li S, Hamann MT. Computationally Assisted Assignment of the Kadsuraols, a Class of Chemopreventive Agents for the Control of Liver Cancer. Organic Letters. PMID 30192555 DOI: 10.1021/Acs.Orglett.8B02207  0.301
2018 Pandey P, Chaurasiya ND, Tekwani BL, Doerksen RJ. Interactions of endocannabinoid virodhamine and related analogs with human monoamine oxidase-A and -B. Biochemical Pharmacology. PMID 29958841 DOI: 10.1016/J.Bcp.2018.06.024  0.313
2018 Liu J, Pandey P, Wang X, Qi X, Chen J, Sun H, Zhang P, Ding Y, Ferreira D, Doerksen RJ, Hamann MT, Li S. Hepatoprotective Dibenzocyclooctadiene and Tetrahydrobenzocyclooctabenzofuranone Lignans from Kadsura longipedunculata. Journal of Natural Products. PMID 29595972 DOI: 10.1021/Acs.Jnatprod.7B00934  0.303
2017 Brandão GC, Rocha Missias FC, Arantes LM, Soares LF, Roy KK, Doerksen RJ, Braga de Oliveira A, Pereira GR. Antimalarial naphthoquinones. Synthesis via click chemistry, in vitro activity, docking to PfDHODH and SAR of lapachol-based compounds. European Journal of Medicinal Chemistry. 145: 191-205. PMID 29324340 DOI: 10.1016/J.Ejmech.2017.12.051  0.346
2015 Mohammed NN, Pandey P, Khan NS, Elokely KM, Liu H, Doerksen RJ, Repka MA. Clotrimazole-cyclodextrin based approach for the management and treatment of Candidiasis - A formulation and chemistry-based evaluation. Pharmaceutical Development and Technology. 1-11. PMID 25923135 DOI: 10.3109/10837450.2015.1041041  0.631
2015 Brown KM, Roy KK, Hockerman GH, Doerksen RJ, Colby DA. Activation of the γ-Aminobutyric Acid Type B (GABAB) Receptor by Agonists and Positive Allosteric Modulators. Journal of Medicinal Chemistry. PMID 25856547 DOI: 10.1021/Jm5018913  0.313
2015 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. Screening and profiling stilbene-type natural products with angiotensin-converting enzyme inhibitory activity from Ampelopsis brevipedunculata var. hancei (Planch.) Rehder. Journal of Pharmaceutical and Biomedical Analysis. 108: 70-7. PMID 25710905 DOI: 10.1016/J.Jpba.2015.01.053  0.307
2014 Ghoneim MM, Elokely KM, El-Hela AA, Mohammad AE, Jacob M, Cutler SJ, Doerksen RJ, Ross SA. Isolation and characterization of new secondary metabolites from Asphodelus microcarpus. Medicinal Chemistry Research : An International Journal For Rapid Communications On Design and Mechanisms of Action of Biologically Active Agents. 23: 3510-3515. PMID 27713615 DOI: 10.1007/S00044-014-0928-X  0.674
2014 Fu G, Liu S, Nan X, Dale OR, Zhao Z, Chen Y, Wilkins DE, Manly SP, Cutler SJ, Doerksen RJ. Quantitative Structure-Activity Relationship Analysis and a Combined Ligand-Based/Structure-Based Virtual Screening Study for Glycogen Synthase Kinase-3. Molecular Informatics. 33: 627-40. PMID 27486081 DOI: 10.1002/Minf.201400045  0.359
2014 Fu G, Sivaprakasam P, Dale OR, Manly SP, Cutler SJ, Doerksen RJ. Pharmacophore Modeling, Ensemble Docking, Virtual Screening, and Biological Evaluation on Glycogen Synthase Kinase-3β. Molecular Informatics. 33: 610-26. PMID 27486080 DOI: 10.1002/Minf.201400044  0.318
2014 Chatterjee A, Cutler SJ, Doerksen RJ, Khan IA, Williamson JS. Discovery of thienoquinolone derivatives as selective and ATP non-competitive CDK5/p25 inhibitors by structure-based virtual screening. Bioorganic & Medicinal Chemistry. 22: 6409-21. PMID 25438765 DOI: 10.1016/J.Bmc.2014.09.043  0.31
2014 Ghoneim MM, Elokely KM, El-Hela AA, Mohammad AE, Jacob M, Radwan MM, Doerksen RJ, Cutler SJ, Ross SA. Asphodosides A-E, anti-MRSA metabolites from Asphodelus microcarpus. Phytochemistry. 105: 79-84. PMID 25034614 DOI: 10.1016/J.Phytochem.2014.06.011  0.668
2014 Ding Y, Liu H, Nanayakkara NP, Khan IA, Tekwani BL, Walker LA, Doerksen RJ. Hydroxylated derivatives of NPC1161: theoretical insights into their potential toxicity and the feasibility and regioselectivity of their formation. The Journal of Physical Chemistry. A. 118: 5501-7. PMID 24956138 DOI: 10.1021/Jp502612T  0.304
2014 Ghoneim M, Elokely K, El-Hela A, Mohammad A, Cutler S, Doerksen R, Ross S. Computationally assisted assignment of highly strained isochromene nucleus Planta Medica. 80. DOI: 10.1055/S-0034-1382683  0.619
2014 Pandey P, Roy K, Liu H, Elokely K, Pettaway S, Cutler S, Doerksen R. Search for cannabinoid receptor 1 antagonists using structure-based virtual screening: identification of natural product hits Planta Medica. 80. DOI: 10.1055/S-0034-1382589  0.641
2014 Liu H, Patel RY, Doerksen RJ. Structure of the cannabinoid receptor 1: Homology modeling of its inactive state and enrichment study based on CB1 antagonist docking Medchemcomm. 5: 1297-1302. DOI: 10.1039/C4Md00121D  0.321
2014 Ghoneim MM, Elokely KM, El-Hela AA, Mohammad AEI, Jacob M, Cutler SJ, Doerksen RJ, Ross SA. Isolation and characterization of new secondary metabolites from Asphodelus microcarpus Medicinal Chemistry Research. 23: 3510-3515. DOI: 10.1007/s00044-014-0928-x  0.653
2013 Hwang IH, Oh J, Kochanowska-Karamyan A, Doerksen RJ, Na M, Hamann MT. A novel natural phenyl alkene with cytotoxic activity. Tetrahedron Letters. 54: 3872-3876. PMID 27795588 DOI: 10.1016/J.Tetlet.2013.05.032  0.358
2013 Zhao Z, Fu G, Liu S, Elokely KM, Doerksen RJ, Chen Y, Wilkins DE. Drug activity prediction using multiple-instance learning via joint instance and feature selection. Bmc Bioinformatics. 14: S16. PMID 24267824 DOI: 10.1186/1471-2105-14-S14-S16  0.654
2013 Elokely KM, Doerksen RJ. Docking challenge: protein sampling and molecular docking performance. Journal of Chemical Information and Modeling. 53: 1934-45. PMID 23530568 DOI: 10.1021/Ci400040D  0.682
2013 Albadry MA, Elokely KM, Wang B, Bowling JJ, Abdelwahab MF, Hossein MH, Doerksen RJ, Hamann MT. Computationally assisted assignment of kahalalide Y configuration using an NMR-constrained conformational search. Journal of Natural Products. 76: 178-85. PMID 23363083 DOI: 10.1021/Np3006088  0.672
2013 Shayanfar A, Ghasemi S, Soltani S, Asadpour-Zeynali K, Doerksen RJ, Jouyban A. Quantitative structure-activity relationships of imidazole-containing farnesyltransferase inhibitors using different chemometric methods. Medicinal Chemistry (ShāRiqah (United Arab Emirates)). 9: 434-48. PMID 22920090 DOI: 10.2174/1573406411309030014  0.33
2012 Fu G, Nan X, Liu H, Patel RY, Daga PR, Chen Y, Wilkins DE, Doerksen RJ. Implementation of multiple-instance learning in drug activity prediction. Bmc Bioinformatics. 13: S3. PMID 23046442 DOI: 10.1186/1471-2105-13-S15-S3  0.676
2012 Liu S, Patel RY, Daga PR, Liu H, Fu G, Doerksen RJ, Chen Y, Wilkins DE. Combined rule extraction and feature elimination in supervised classification. Ieee Transactions On Nanobioscience. 11: 228-36. PMID 22987128 DOI: 10.1109/Tnb.2012.2213264  0.662
2012 Fu G, Liu H, Doerksen RJ. Molecular modeling to provide insight into the substrate binding and catalytic mechanism of human biliverdin-IXα reductase. The Journal of Physical Chemistry. B. 116: 9580-94. PMID 22823425 DOI: 10.1021/Jp301456J  0.337
2011 Nan X, Fu G, Zhao Z, Liu S, Patel RY, Liu H, Daga PR, Doerksen RJ, Dang X, Chen Y, Wilkins D. Leveraging domain information to restructure biological prediction. Bmc Bioinformatics. 12: S22. PMID 22166097 DOI: 10.1186/1471-2105-12-S10-S22  0.639
2011 Liu S, Patel RY, Daga PR, Liu H, Fu G, Doerksen R, Chen Y, Wilkins D. Multi-class joint rule extraction and feature selection for biological data Proceedings - 2011 Ieee International Conference On Bioinformatics and Biomedicine, Bibm 2011. 476-481. DOI: 10.1109/BIBM.2011.82  0.642
2011 Fu G, Doerksen RJ, Xu P. Assignment of absolute configuration of sulfinyl dilactones: Optical rotations and 1H NMR experiment and DFT calculations Journal of Molecular Structure. 987: 166-173. DOI: 10.1016/J.Molstruc.2010.11.076  0.317
2010 Liu H, McCurdy CR, Doerksen RJ. Computational Study on the Conformations of Mitragynine and Mitragynaline. Theochem. 945: 57-63. PMID 21293786 DOI: 10.1016/J.Theochem.2010.01.011  0.305
2010 Dayan FE, Daga PR, Duke SO, Lee RM, Tranel PJ, Doerksen RJ. Biochemical and structural consequences of a glycine deletion in the alpha-8 helix of protoporphyrinogen oxidase. Biochimica Et Biophysica Acta. 1804: 1548-56. PMID 20399914 DOI: 10.1016/J.Bbapap.2010.04.004  0.669
2010 Daga PR, Duan J, Doerksen RJ. Computational model of hepatitis B virus DNA polymerase: molecular dynamics and docking to understand resistant mutations. Protein Science : a Publication of the Protein Society. 19: 796-807. PMID 20162615 DOI: 10.1002/Pro.359  0.672
2010 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, et al. Structure-activity relationship and mechanism of action studies of manzamine analogues for the control of neuroinflammation and cerebral infections. Journal of Medicinal Chemistry. 53: 61-76. PMID 20017491 DOI: 10.1021/Jm900672T  0.334
2010 Daga PR, Patel RY, Doerksen RJ. Template-based protein modeling: recent methodological advances. Current Topics in Medicinal Chemistry. 10: 84-94. PMID 19929829 DOI: 10.2174/156802610790232314  0.664
2010 Mohammed R, Peng J, Kelly M, Yousaf M, Winn E, Odde S, Bie Z, Xie A, Doerksen RJ, Hamann MT. Polyketide-peroxides from a species of Jamaican plakortis (Porifera: Demospongiae) Australian Journal of Chemistry. 63: 877-885. DOI: 10.1071/Ch09665  0.324
2009 Xie A, Clark SR, Prasanna S, Doerksen RJ. Three-dimensional quantitative structure-farnesyltransferase inhibition analysis for some diaminobenzophenones. Journal of Enzyme Inhibition and Medicinal Chemistry. 24: 1220-8. PMID 19912055 DOI: 10.3109/14756360902781389  0.305
2009 Kudrimoti S, Ahmed SA, Daga PR, Wahba AE, Khalifa SI, Doerksen RJ, Hamann MT. Semisynthetic latrunculin B analogs: studies of actin docking support a proposed mechanism for latrunculin bioactivity. Bioorganic & Medicinal Chemistry. 17: 7517-22. PMID 19800245 DOI: 10.1016/J.Bmc.2009.09.012  0.677
2009 Sivaprakasam P, Tosso PN, Doerksen RJ. Structure-activity relationship and comparative docking studies for cycloguanil analogs as PfDHFR-TS inhibitors. Journal of Chemical Information and Modeling. 49: 1787-96. PMID 19588935 DOI: 10.1021/Ci9000663  0.349
2009 Xie A, Odde S, Prasanna S, Doerksen RJ. Imidazole-containing farnesyltransferase inhibitors: 3D quantitative structure-activity relationships and molecular docking. Journal of Computer-Aided Molecular Design. 23: 431-48. PMID 19479325 DOI: 10.1007/S10822-009-9278-Z  0.371
2009 Prasanna S, Doerksen RJ. Topological polar surface area: A useful descriptor in 2D-QSAR Current Medicinal Chemistry. 16: 21-41. PMID 19149561 DOI: 10.2174/092986709787002817  0.321
2009 Prasanna S, Daga PR, Xie A, Doerksen RJ. Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: insights from 3D-QSAR and docking. Journal of Computer-Aided Molecular Design. 23: 113-27. PMID 18839067 DOI: 10.1007/S10822-008-9244-1  0.669
2009 Daga P, Odde S, Hamann M, Doerksen R. Free Energy Calculations on the Binding of Natural Latrunculins and Semi-synthetic Derivatives to G-Actin Planta Medica. 75. DOI: 10.1055/S-2009-1216490  0.655
2008 Ibrahim MA, Shilabin AG, Prasanna S, Jacob M, Khan SI, Doerksen RJ, Hamann MT. 2-N-Methyl modifications and SAR studies of manzamine A. Bioorganic & Medicinal Chemistry. 16: 6702-6. PMID 18595720 DOI: 10.1016/J.Bmc.2008.05.079  0.327
2008 Daga PR, Doerksen RJ. Stereoelectronic properties of spiroquinazolinones in differential PDE7 inhibitory activity. Journal of Computational Chemistry. 29: 1945-54. PMID 18366018 DOI: 10.1002/Jcc.20960  0.69
2008 Bowling J, Daga P, Odde S, Ahmed S, Mesbah M, Youssef D, Kudrimoti S, Khalifa S, Doerksen R, Hamann M. Actin-binding Comparisons of the Marine Natural Product Latrunculin B with Natural and Semi-synthetic Latrunculin B Analogs Planta Medica. 74. DOI: 10.1055/S-2008-1075258  0.655
2007 Ahmed SA, Odde S, Daga PR, Bowling JJ, Mesbah MK, Youssef DT, Khalifa SI, Doerksen RJ, Hamann MT. Latrunculin with a highly oxidized thiazolidinone ring: structure assignment and actin docking. Organic Letters. 9: 4773-6. PMID 17929935 DOI: 10.1021/Ol7020675  0.676
2006 Xie A, Sivaprakasam P, Doerksen RJ. 3D-QSAR analysis of antimalarial farnesyltransferase inhibitors based on a 2,5-diaminobenzophenone scaffold. Bioorganic & Medicinal Chemistry. 14: 7311-23. PMID 16837204 DOI: 10.1016/J.Bmc.2006.06.041  0.352
2006 Tang H, Doerksen RJ, Jones TV, Klein ML, Tew GN. Biomimetic facially amphiphilic antibacterial oligomers with conformationally stiff backbones. Chemistry & Biology. 13: 427-35. PMID 16632255 DOI: 10.1016/J.Chembiol.2006.02.007  0.328
1999 Doerksen RJ. structures, vibrational frequencies and polarizabilities of diazaborinines, triazadiborinines, azaboroles, and oxazaboroles Journal of Physical Chemistry A. 103: 2141-2151. DOI: 10.1021/Jp984256R  0.313
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