Balupuri A - Search Results

1

Receptor-guided 3D-QSAR studies, molecular dynamics simulation and free energy calculations of Btk kinase inhibitors.

Balasubramanian PK, Balupuri A, Kang HY, Cho SJ. Balasubramanian PK, et al. Among authors: balupuri a. BMC Syst Biol. 2017 Mar 14;11(Suppl 2):6. doi: 10.1186/s12918-017-0385-5. BMC Syst Biol. 2017. PMID: 28361711 Free PMC article.

2

Modeling study of phenylsulfonylfuroxan derivatives as P-gp inhibitors: a combined approach of CoMFA, CoMSIA and HQSAR.

Gadhe CG, Balupuri A, Balasubramanian PK, Cho SJ. Gadhe CG, et al. Among authors: balupuri a. Anticancer Agents Med Chem. 2014;14(7):1019-30. doi: 10.2174/18715206113136660335. Anticancer Agents Med Chem. 2014. PMID: 24066798

3

In silico study on indole derivatives as anti HIV-1 agents: a combined docking, molecular dynamics and 3D-QSAR study.

Balupuri A, Gadhe CG, Balasubramanian PK, Kothandan G, Cho SJ. Balupuri A, et al. Arch Pharm Res. 2014 Aug;37(8):1001-15. doi: 10.1007/s12272-013-0313-1. Epub 2013 Dec 14. Arch Pharm Res. 2014. PMID: 24338530

4

In silico study of 1-(4-Phenylpiperazin-1-yl)-2-(1H-pyrazol-1-yl) ethanones derivatives as CCR1 antagonist: homology modeling, docking and 3D-QSAR approach.

Balasubramanian PK, Balupuri A, Kothandan G, Cho SJ. Balasubramanian PK, et al. Among authors: balupuri a. Bioorg Med Chem Lett. 2014 Feb 1;24(3):928-33. doi: 10.1016/j.bmcl.2013.12.065. Epub 2013 Dec 25. Bioorg Med Chem Lett. 2014. PMID: 24424131

5

Docking-based 3D-QSAR study of pyridyl aminothiazole derivatives as checkpoint kinase 1 inhibitors.

Balupuri A, Balasubramanian PK, Gadhe CG, Cho SJ. Balupuri A, et al. SAR QSAR Environ Res. 2014;25(8):651-71. doi: 10.1080/1062936X.2014.923040. Epub 2014 Jun 9. SAR QSAR Environ Res. 2014. PMID: 24911214

6

The nociceptin receptor (NOPR) and its interaction with clinically important agonist molecules: a membrane molecular dynamics simulation study.

Kothandan G, Gadhe CG, Balupuri A, Ganapathy J, Cho SJ. Kothandan G, et al. Among authors: balupuri a. Mol Biosyst. 2014 Dec;10(12):3188-98. doi: 10.1039/c4mb00323c. Epub 2014 Sep 26. Mol Biosyst. 2014. PMID: 25259728

7

In silico characterization of binding mode of CCR8 inhibitor: homology modeling, docking and membrane based MD simulation study.

Gadhe CG, Balupuri A, Cho SJ. Gadhe CG, et al. Among authors: balupuri a. J Biomol Struct Dyn. 2015;33(11):2491-510. doi: 10.1080/07391102.2014.1002006. Epub 2015 Jan 23. J Biomol Struct Dyn. 2015. PMID: 25617117

8

3D-QSAR study of tetrahydro-3H-imidazo[4,5-c]pyridine derivatives as VEGFR-2 kinase inhibitors using various charge schemes.

Balupuri A, Balasubramanian PK, Cho SJ. Balupuri A, et al. Arch Pharm Res. 2015 Aug;38(8):1434-42. doi: 10.1007/s12272-015-0554-2. Epub 2015 Jan 13. Arch Pharm Res. 2015. PMID: 25874606

9

Molecular modeling studies on series of Btk inhibitors using docking, structure-based 3D-QSAR and molecular dynamics simulation: a combined approach.

Balasubramanian PK, Balupuri A, Cho SJ. Balasubramanian PK, et al. Among authors: balupuri a. Arch Pharm Res. 2016 Mar;39(3):328-39. doi: 10.1007/s12272-015-0698-0. Epub 2015 Dec 23. Arch Pharm Res. 2016. PMID: 26699616

10

Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods.

Balupuri A, Balasubramanian PK, Cho SJ. Balupuri A, et al. Curr Comput Aided Drug Des. 2016;12(4):302-313. doi: 10.2174/1573409912666160901112720. Curr Comput Aided Drug Des. 2016. PMID: 27585602

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