Balasubramanian PK - Search Results

1

Deciphering the crucial molecular properties of a series of Benzothiazole Hydrazone inhibitors that targets anti-apoptotic Bcl-xL protein.

Marimuthu P, Balasubramanian PK, Singaravelu K. Marimuthu P, et al. Among authors: balasubramanian pk. J Biomol Struct Dyn. 2018 Aug;36(10):2654-2667. doi: 10.1080/07391102.2017.1365771. Epub 2017 Aug 24. J Biomol Struct Dyn. 2018. PMID: 28793831

2

3D-QSAR-aided design of potent c-Met inhibitors using molecular dynamics simulation and binding free energy calculation.

Balasubramanian PK, Balupuri A, Bhujbal SP, Cho SJ. Balasubramanian PK, et al. J Biomol Struct Dyn. 2019 May;37(8):2165-2178. doi: 10.1080/07391102.2018.1479309. Epub 2018 Nov 1. J Biomol Struct Dyn. 2019. PMID: 30044205

3

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. 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

4

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. 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.

5

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. Among authors: balasubramanian pk. Curr Comput Aided Drug Des. 2016;12(4):302-313. doi: 10.2174/1573409912666160901112720. Curr Comput Aided Drug Des. 2016. PMID: 27585602

6

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. Among authors: balasubramanian pk. 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

7

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. Among authors: balasubramanian pk. 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

8

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. 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

9

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. Among authors: balasubramanian pk. 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

10

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: balasubramanian pk. Anticancer Agents Med Chem. 2014;14(7):1019-30. doi: 10.2174/18715206113136660335. Anticancer Agents Med Chem. 2014. PMID: 24066798

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