Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 29

1.

Computational Prediction of the Site(s) of Metabolism and Binding Modes of Protein Kinase Inhibitors Metabolized by CYP3A4.

Nair PC, McKinnon RA, Miners JO.

Drug Metab Dispos. 2019 Jun;47(6):616-631. doi: 10.1124/dmd.118.085167. Epub 2019 Mar 22.

PMID:
30902802
2.

The UDP-Glycosyltransferase (UGT) Superfamily: New Members, New Functions, and Novel Paradigms.

Meech R, Hu DG, McKinnon RA, Mubarokah SN, Haines AZ, Nair PC, Rowland A, Mackenzie PI.

Physiol Rev. 2019 Apr 1;99(2):1153-1222. doi: 10.1152/physrev.00058.2017. Review.

PMID:
30724669
3.

Sorafenib N-Oxide Is an Inhibitor of Human Hepatic CYP3A4.

Ghassabian S, Gillani TB, Rawling T, Crettol S, Nair PC, Murray M.

AAPS J. 2019 Jan 9;21(2):15. doi: 10.1208/s12248-018-0262-1.

PMID:
30627802
4.

A Fragment-Based Approach for the Computational Prediction of the Nonspecific Binding of Drugs to Hepatic Microsomes.

Nair PC, McKinnon RA, Miners JO.

Drug Metab Dispos. 2016 Nov;44(11):1794-1798. Epub 2016 Aug 19.

PMID:
27543205
5.

Cytochrome P450 structure-function: insights from molecular dynamics simulations.

Nair PC, McKinnon RA, Miners JO.

Drug Metab Rev. 2016 Aug;48(3):434-52. doi: 10.1080/03602532.2016.1178771. Epub 2016 May 10. Review.

PMID:
27167388
6.
7.

Warfarin resistance associated with genetic polymorphism of VKORC1: linking clinical response to molecular mechanism using computational modeling.

Lewis BC, Nair PC, Heran SS, Somogyi AA, Bowden JJ, Doogue MP, Miners JO.

Pharmacogenet Genomics. 2016 Jan;26(1):44-50. doi: 10.1097/FPC.0000000000000184.

PMID:
26513304
8.

The Nonspecific Binding of Tyrosine Kinase Inhibitors to Human Liver Microsomes.

Burns K, Nair PC, Rowland A, Mackenzie PI, Knights KM, Miners JO.

Drug Metab Dispos. 2015 Dec;43(12):1934-7. doi: 10.1124/dmd.115.065292. Epub 2015 Oct 6.

PMID:
26443648
9.

Arginine analogues incorporating carboxylate bioisosteric functions are micromolar inhibitors of human recombinant DDAH-1.

Tommasi S, Zanato C, Lewis BC, Nair PC, Dall'Angelo S, Zanda M, Mangoni AA.

Org Biomol Chem. 2015 Dec 14;13(46):11315-30. doi: 10.1039/c5ob01843a. Epub 2015 Sep 30.

PMID:
26420019
10.

Insights into the UDP-sugar selectivities of human UDP-glycosyltransferases (UGT): a molecular modeling perspective.

Nair PC, Meech R, Mackenzie PI, McKinnon RA, Miners JO.

Drug Metab Rev. 2015 Aug;47(3):335-45. doi: 10.3109/03602532.2015.1071835. Epub 2015 Aug 3. Review.

PMID:
26289097
11.

Insights into the UDP-sugar selectivities of human UDP-glycosyltransferases (UGT): a molecular modeling perspective.

Nair PC, Meech R, Mackenzie PI, McKinnon RA, Miners JO.

Drug Metab Rev. 2015 Aug 3:1-11. [Epub ahead of print]

PMID:
26234632
12.

A novel function for UDP glycosyltransferase 8: galactosidation of bile acids.

Meech R, Mubarokah N, Shivasami A, Rogers A, Nair PC, Hu DG, McKinnon RA, Mackenzie PI.

Mol Pharmacol. 2015;87(3):442-50. doi: 10.1124/mol.114.093823. Epub 2014 Dec 17.

PMID:
25519837
13.

Molecular dynamics simulations: from structure function relationships to drug discovery.

Nair PC, Miners JO.

In Silico Pharmacol. 2014 Nov 21;2:4. doi: 10.1186/s40203-014-0004-8. eCollection 2014.

14.

Missing fragments: detecting cooperative binding in fragment-based drug design.

Nair PC, Malde AK, Drinkwater N, Mark AE.

ACS Med Chem Lett. 2012 Feb 14;3(4):322-6. doi: 10.1021/ml300015u. eCollection 2012 Apr 12.

15.

An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0.

Malde AK, Zuo L, Breeze M, Stroet M, Poger D, Nair PC, Oostenbrink C, Mark AE.

J Chem Theory Comput. 2011 Dec 13;7(12):4026-37. doi: 10.1021/ct200196m. Epub 2011 Nov 15.

PMID:
26598349
16.

Comparison of enveloping distribution sampling and thermodynamic integration to calculate binding free energies of phenylethanolamine N-methyltransferase inhibitors.

Riniker S, Christ CD, Hansen N, Mark AE, Nair PC, van Gunsteren WF.

J Chem Phys. 2011 Jul 14;135(2):024105. doi: 10.1063/1.3604534.

PMID:
21766923
17.

Using Theory to Reconcile Experiment: The Structural and Thermodynamic Basis of Ligand Recognition by Phenylethanolamine N-Methyltransferase (PNMT).

Nair PC, Malde AK, Mark AE.

J Chem Theory Comput. 2011 May 10;7(5):1458-68. doi: 10.1021/ct1007229. Epub 2011 Mar 30.

PMID:
26610136
18.

Molecular field analysis (MFA) and other QSAR techniques in development of phosphatase inhibitors.

Nair PC.

Anticancer Agents Med Chem. 2011 Jan;11(1):151-63. Review.

PMID:
21214509
19.

Factors responsible for asthma and rhinitis among Kuwaiti schoolchildren.

Abal AT, Ayed A, Nair PC, Mosawi M, Behbehani N.

Med Princ Pract. 2010;19(4):295-8. doi: 10.1159/000312716. Epub 2010 May 26.

20.

Fingerprint directed scaffold hopping for identification of CCR2 antagonists.

Nair PC, Sobhia ME.

J Chem Inf Model. 2008 Sep;48(9):1891-902. doi: 10.1021/ci800157j. Epub 2008 Sep 3.

PMID:
18763838
21.

QSAR studies on CCR2 antagonists with chiral sensitive hologram descriptors.

Nair PC, Srikanth K, Sobhia ME.

Bioorg Med Chem Lett. 2008 Feb 15;18(4):1323-30. doi: 10.1016/j.bmcl.2008.01.023. Epub 2008 Jan 11.

PMID:
18258426
22.

Probing the structural and topological requirements for CCR2 antagonism: holographic QSAR for indolopiperidine derivatives.

Srikanth K, Nair PC, Sobhia ME.

Bioorg Med Chem Lett. 2008 Feb 15;18(4):1450-6. doi: 10.1016/j.bmcl.2007.12.072. Epub 2008 Jan 1.

PMID:
18226895
23.

Comparative QSTR studies for predicting mutagenicity of nitro compounds.

Nair PC, Sobhia ME.

J Mol Graph Model. 2008 Feb;26(6):916-34. Epub 2007 Jun 28.

PMID:
17689994
24.
25.

CoMFA based de novo design of pyridazine analogs as PTP1B inhibitors.

Nair PC, Sobhia ME.

J Mol Graph Model. 2007 Jul;26(1):117-23. Epub 2006 Oct 24.

PMID:
17140831
26.

Influence of smoking on cutaneous delayed-type hyper sensitivity reaction by tuberculin skin test.

Abal AT, Nair PC, Sugathan TN, Pawar S.

Respir Med. 2003 Jun;97(6):672-5.

27.

Hemophagocytic lymphohistiocytosis (HLH) presenting on the 3rd day of life.

Nair PC, Wali Y, Zechariah M, Zakia-Al-Lamki.

Indian J Pediatr. 2001 Oct;68(10):995-7.

PMID:
11758143
28.
29.

Hospital admissions and death rates from asthma in Kuwait during pre- and post-Gulf War periods.

Abul AT, Nair PC, Behbehanei NA, Sharma PN.

Ann Allergy Asthma Immunol. 2001 Apr;86(4):465-8.

PMID:
11345294

Supplemental Content

Support Center