Sirimulla S[au] - Search Results

Year	Number of Results
2010	1
2011	1
2012	1
2013	2
2015	1
2016	5
2017	2
2018	1
2019	3
2020	2
2021	3
2022	0

1

DrugCentral 2021 supports drug discovery and repositioning.

Avram S, Bologa CG, Holmes J, Bocci G, Wilson TB, Nguyen DT, Curpan R, Halip L, Bora A, Yang JJ, Knockel J, Sirimulla S, Ursu O, Oprea TI. Avram S, et al. Among authors: sirimulla s. Nucleic Acids Res. 2021 Jan 8;49(D1):D1160-D1169. doi: 10.1093/nar/gkaa997. Nucleic Acids Res. 2021. PMID: 33151287 Free PMC article.

2

BiasNet: A Model to Predict Ligand Bias Toward GPCR Signaling.

Sanchez JE, Kc GB, Franco J, Allen WJ, Garcia JD, Sirimulla S. Sanchez JE, et al. Among authors: sirimulla s. J Chem Inf Model. 2021 Sep 27;61(9):4190-4199. doi: 10.1021/acs.jcim.1c00317. Epub 2021 Aug 16. J Chem Inf Model. 2021. PMID: 34397210

3

Looking Back, Looking Forward at Halogen Bonding in Drug Discovery.

Mendez L, Henriquez G, Sirimulla S, Narayan M. Mendez L, et al. Among authors: sirimulla s. Molecules. 2017 Aug 24;22(9):1397. doi: 10.3390/molecules22091397. Molecules. 2017. PMID: 28837116 Free PMC article. Review.

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

REDIAL-2020: A Suite of Machine Learning Models to Estimate Anti-SARS-CoV-2 Activities.

Kc G, Bocci G, Verma S, Hassan M, Holmes J, Yang J, Sirimulla S, Oprea TI. Kc G, et al. Among authors: sirimulla s. ChemRxiv. 2020 Sep 16. doi: 10.26434/chemrxiv.12915779. Preprint. ChemRxiv. 2020. PMID: 33200119 Free PMC article.

6

A comprehensive review of cytochrome P450 2E1 for xenobiotic metabolism.

Chen J, Jiang S, Wang J, Renukuntla J, Sirimulla S, Chen J. Chen J, et al. Among authors: sirimulla s. Drug Metab Rev. 2019 May;51(2):178-195. doi: 10.1080/03602532.2019.1632889. Epub 2019 Jun 28. Drug Metab Rev. 2019. PMID: 31203697

7

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.

8

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.

9

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

10

Withaferin-A suppress AKT induced tumor growth in colorectal cancer cells.

Suman S, Das TP, Sirimulla S, Alatassi H, Ankem MK, Damodaran C. Suman S, et al. Among authors: sirimulla s. Oncotarget. 2016 Mar 22;7(12):13854-64. doi: 10.18632/oncotarget.7351. Oncotarget. 2016. PMID: 26883103 Free PMC article.

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