Sirimulla S - Search Results

1

Ocular sustained release nanoparticles containing stereoisomeric dipeptide prodrugs of acyclovir.

Jwala J, Boddu SH, Shah S, Sirimulla S, Pal D, Mitra AK. Jwala J, et al. Among authors: sirimulla s. J Ocul Pharmacol Ther. 2011 Apr;27(2):163-72. doi: 10.1089/jop.2010.0188. J Ocul Pharmacol Ther. 2011. PMID: 21500985 Free PMC article.

2

Novel biotinylated lipid prodrugs of acyclovir for the treatment of herpetic keratitis (HK): transporter recognition, tissue stability and antiviral activity.

Vadlapudi AD, Vadlapatla RK, Earla R, Sirimulla S, Bailey JB, Pal D, Mitra AK. Vadlapudi AD, et al. Among authors: sirimulla s. Pharm Res. 2013 Aug;30(8):2063-76. doi: 10.1007/s11095-013-1059-7. Epub 2013 May 9. Pharm Res. 2013. PMID: 23657675 Free PMC article.

3

Elucidation of the orientation of selected drugs with 2-hydroxylpropyl-β-cyclodextrin using 2D-NMR spectroscopy and molecular modeling.

Adhikari S, Daftardar S, Fratev F, Rivera M, Sirimulla S, Alexander K, Boddu SHS. Adhikari S, et al. Among authors: sirimulla s. Int J Pharm. 2018 Jul 10;545(1-2):357-365. doi: 10.1016/j.ijpharm.2018.05.016. Epub 2018 May 7. Int J Pharm. 2018. PMID: 29747001

4

Discovery of new AKT1 inhibitors by combination of in silico structure based virtual screening approaches and biological evaluations.

Fratev F, Gutierrez DA, Aguilera RJ, Tyagi A, Damodaran C, Sirimulla S. Fratev F, et al. Among authors: sirimulla s. J Biomol Struct Dyn. 2021 Jan;39(1):368-377. doi: 10.1080/07391102.2020.1715835. Epub 2020 Feb 12. J Biomol Struct Dyn. 2021. PMID: 31933423

5

An Improved Free Energy Perturbation FEP+ Sampling Protocol for Flexible Ligand-Binding Domains.

Fratev F, Sirimulla S. Fratev F, et al. Among authors: sirimulla s. Sci Rep. 2019 Nov 14;9(1):16829. doi: 10.1038/s41598-019-53133-1. Sci Rep. 2019. PMID: 31728038 Free PMC article.

6

Discovery of GlyT2 Inhibitors Using Structure-Based Pharmacophore Screening and Selectivity Studies by FEP+ Calculations.

Fratev F, Miranda-Arango M, Lopez AB, Padilla E, Sirimulla S. Fratev F, et al. Among authors: sirimulla s. ACS Med Chem Lett. 2019 May 22;10(6):904-910. doi: 10.1021/acsmedchemlett.9b00003. eCollection 2019 Jun 13. ACS Med Chem Lett. 2019. PMID: 31223446 Free PMC article.

7

Halogen interactions in protein-ligand complexes: implications of halogen bonding for rational drug design.

Sirimulla S, Bailey JB, Vegesna R, Narayan M. Sirimulla S, et al. J Chem Inf Model. 2013 Nov 25;53(11):2781-91. doi: 10.1021/ci400257k. Epub 2013 Nov 13. J Chem Inf Model. 2013. PMID: 24134121

8

Identification of Novel Nitrosative Stress Inhibitors through Virtual Screening and Experimental Evaluation.

Sirimulla S, Pal R, Raparla M, Bailey JB, Duran R, Altamirano AM, Herndon WC, Narayan M. Sirimulla S, et al. Mol Inform. 2012 Feb;31(2):167-72. doi: 10.1002/minf.201100044. Epub 2012 Feb 8. Mol Inform. 2012. PMID: 27476961

9

S···O and S···N Sulfur Bonding Interactions in Protein-Ligand Complexes: Empirical Considerations and Scoring Function.

Koebel MR, Cooper A, Schmadeke G, Jeon S, Narayan M, Sirimulla S. Koebel MR, et al. Among authors: sirimulla s. J Chem Inf Model. 2016 Dec 27;56(12):2298-2309. doi: 10.1021/acs.jcim.6b00236. Epub 2016 Dec 12. J Chem Inf Model. 2016. PMID: 27936771

10

Prediction of partial molar volumes of amino acids and small peptides: counting atoms versus topological indices.

Sirimulla S, Lerma M, Herndon WC. Sirimulla S, et al. J Chem Inf Model. 2010 Jan;50(1):194-204. doi: 10.1021/ci900318c. J Chem Inf Model. 2010. PMID: 20058884

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