Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 18

1.

A bifunctional nociceptin and mu opioid receptor agonist is analgesic without opioid side effects in nonhuman primates.

Ding H, Kiguchi N, Yasuda D, Daga PR, Polgar WE, Lu JJ, Czoty PW, Kishioka S, Zaveri NT, Ko MC.

Sci Transl Med. 2018 Aug 29;10(456). pii: eaar3483. doi: 10.1126/scitranslmed.aar3483.

PMID:
30158150
2.

Physiologically Based Pharmacokinetic Modeling in Lead Optimization. 1. Evaluation and Adaptation of GastroPlus To Predict Bioavailability of Medchem Series.

Daga PR, Bolger MB, Haworth IS, Clark RD, Martin EJ.

Mol Pharm. 2018 Mar 5;15(3):821-830. doi: 10.1021/acs.molpharmaceut.7b00972. Epub 2018 Feb 1.

PMID:
29337578
3.

Physiologically Based Pharmacokinetic Modeling in Lead Optimization. 2. Rational Bioavailability Design by Global Sensitivity Analysis To Identify Properties Affecting Bioavailability.

Daga PR, Bolger MB, Haworth IS, Clark RD, Martin EJ.

Mol Pharm. 2018 Mar 5;15(3):831-839. doi: 10.1021/acs.molpharmaceut.7b00973. Epub 2018 Feb 1.

PMID:
29337562
4.

Probing ligand recognition of the opioid pan antagonist AT-076 at nociceptin, kappa, mu, and delta opioid receptors through structure-activity relationships.

Journigan VB, Polgar WE, Tuan EW, Lu J, Daga PR, Zaveri NT.

Sci Rep. 2017 Oct 16;7(1):13255. doi: 10.1038/s41598-017-13129-1.

5.

Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification.

Daga PR, Polgar WE, Zaveri NT.

J Chem Inf Model. 2014 Oct 27;54(10):2732-43. doi: 10.1021/ci500291a. Epub 2014 Sep 17.

6.

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.

7.

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
8.
9.

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.

10.

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
11.

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.

12.

Template-based protein modeling: recent methodological advances.

Daga PR, Patel RY, Doerksen RJ.

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

13.

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.

14.

Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: insights from 3D-QSAR and docking.

Prasanna S, Daga PR, Xie A, Doerksen RJ.

J Comput Aided Mol Des. 2009 Feb;23(2):113-27. doi: 10.1007/s10822-008-9244-1. Epub 2008 Oct 7.

PMID:
18839067
15.

Stereoelectronic properties of spiroquinazolinones in differential PDE7 inhibitory activity.

Daga PR, Doerksen RJ.

J Comput Chem. 2008 Sep;29(12):1945-54. doi: 10.1002/jcc.20960.

PMID:
18366018
16.

Latrunculin with a highly oxidized thiazolidinone ring: structure assignment and actin docking.

Ahmed SA, Odde S, Daga PR, Bowling JJ, Mesbah MK, Youssef DT, Khalifa SI, Doerksen RJ, Hamann MT.

Org Lett. 2007 Nov 8;9(23):4773-6. Epub 2007 Oct 12.

17.

Synthesis and SAR/3D-QSAR studies on the COX-2 inhibitory activity of 1,5-diarylpyrazoles to validate the modified pharmacophore.

Singh SK, Saibaba V, Rao KS, Reddy PG, Daga PR, Rajjak SA, Misra P, Rao YK.

Eur J Med Chem. 2005 Oct;40(10):977-90. Epub 2005 Jun 14.

PMID:
15961192
18.

3D-QSAR studies on c-Src kinase inhibitors and docking analyses of a potent dual kinase inhibitor of c-Src and c-Abl kinases.

Thaimattam R, Daga PR, Banerjee R, Iqbal J.

Bioorg Med Chem. 2005 Aug 1;13(15):4704-12.

PMID:
15914012

Supplemental Content

Support Center