Similar articles for PMID: 28816107

Year	Number of Results
1988	1
2004	4
2005	5
2006	4
2007	3
2008	4
2010	5
2011	3
2013	4
2014	8
2015	4
2016	3
2017	8
2018	3
2019	8
2020	11
2021	9
2022	9
2023	9
2024	3

1

Fishing Anti-Inflammatories from Known Drugs: In Silico Repurposing, Design, Synthesis and Biological Evaluation of Bisacodyl Analogues.

Veitía MS, Mota DS, Lerari V, Marín M, Giner RM, Muro LV, Guerra YR, Dumas F, Ferroud C, de Witte PAM, Crawford AD, Arán VJ, Ponce YM. Veitía MS, et al. Curr Top Med Chem. 2017 Aug 17. doi: 10.2174/1568026617666170817161953. Online ahead of print. Curr Top Med Chem. 2017. PMID: 28816107

2

Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: the nitroindazolinone chemotype.

Marrero-Ponce Y, Siverio-Mota D, Gálvez-Llompart M, Recio MC, Giner RM, García-Domènech R, Torrens F, Arán VJ, Cordero-Maldonado ML, Esguera CV, de Witte PA, Crawford AD. Marrero-Ponce Y, et al. Eur J Med Chem. 2011 Dec;46(12):5736-53. doi: 10.1016/j.ejmech.2011.07.053. Epub 2011 Aug 17. Eur J Med Chem. 2011. PMID: 22000935

3

Antiprotozoan lead discovery by aligning dry and wet screening: prediction, synthesis, and biological assay of novel quinoxalinones.

Martins Alho MA, Marrero-Ponce Y, Barigye SJ, Meneses-Marcel A, Machado Tugores Y, Montero-Torres A, Gómez-Barrio A, Nogal JJ, García-Sánchez RN, Vega MC, Rolón M, Martínez-Fernández AR, Escario JA, Pérez-Giménez F, Garcia-Domenech R, Rivera N, Mondragón R, Mondragón M, Ibarra-Velarde F, Lopez-Arencibia A, Martín-Navarro C, Lorenzo-Morales J, Cabrera-Serra MG, Piñero J, Tytgat J, Chicharro R, Arán VJ. Martins Alho MA, et al. Bioorg Med Chem. 2014 Mar 1;22(5):1568-85. doi: 10.1016/j.bmc.2014.01.036. Epub 2014 Jan 31. Bioorg Med Chem. 2014. PMID: 24513185

4

QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations.

Valdés-Martiní JR, Marrero-Ponce Y, García-Jacas CR, Martinez-Mayorga K, Barigye SJ, Vaz d'Almeida YS, Pham-The H, Pérez-Giménez F, Morell CA. Valdés-Martiní JR, et al. J Cheminform. 2017 Jun 7;9(1):35. doi: 10.1186/s13321-017-0211-5. J Cheminform. 2017. PMID: 29086120 Free PMC article.

5

Predicting antitrichomonal activity: a computational screening using atom-based bilinear indices and experimental proofs.

Marrero-Ponce Y, Meneses-Marcel A, Castillo-Garit JA, Machado-Tugores Y, Escario JA, Barrio AG, Pereira DM, Nogal-Ruiz JJ, Arán VJ, Martínez-Fernández AR, Torrens F, Rotondo R, Ibarra-Velarde F, Alvarado YJ. Marrero-Ponce Y, et al. Bioorg Med Chem. 2006 Oct 1;14(19):6502-24. doi: 10.1016/j.bmc.2006.06.016. Epub 2006 Jul 27. Bioorg Med Chem. 2006. PMID: 16875830

6

Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.

Marrero-Ponce Y, Iyarreta-Veitía M, Montero-Torres A, Romero-Zaldivar C, Brandt CA, Avila PE, Kirchgatter K, Machado Y. Marrero-Ponce Y, et al. J Chem Inf Model. 2005 Jul-Aug;45(4):1082-100. doi: 10.1021/ci050085t. J Chem Inf Model. 2005. PMID: 16045304

7

Non-stochastic and stochastic linear indices of the molecular pseudograph's atom-adjacency matrix: a novel approach for computational in silico screening and "rational" selection of new lead antibacterial agents.

Marrero-Ponce Y, Marrero RM, Torrens F, Martinez Y, Bernal MG, Zaldivar VR, Castro EA, Abalo RG. Marrero-Ponce Y, et al. J Mol Model. 2006 Feb;12(3):255-71. doi: 10.1007/s00894-005-0024-8. Epub 2005 Nov 4. J Mol Model. 2006. PMID: 16270182

8

TOMOCOMD-CARDD, a novel approach for computer-aided 'rational' drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico design of new anthelmintic compounds.

Marrero-Ponce Y, Castillo-Garit JA, Olazabal E, Serrano HS, Morales A, Castañedo N, Ibarra-Velarde F, Huesca-Guillen A, Jorge E, del Valle A, Torrens F, Castro EA. Marrero-Ponce Y, et al. J Comput Aided Mol Des. 2004 Oct;18(10):615-34. doi: 10.1007/s10822-004-5171-y. J Comput Aided Mol Des. 2004. PMID: 15849993

9

3D-chiral quadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their application to central chirality codification: classification of ACE inhibitors and prediction of sigma-receptor antagonist activities.

Ponce YM, Diaz HG, Zaldivar VR, Torrens F, Castro EA. Ponce YM, et al. Bioorg Med Chem. 2004 Oct 15;12(20):5331-42. doi: 10.1016/j.bmc.2004.07.051. Bioorg Med Chem. 2004. PMID: 15388160

10

Bond-based 2D TOMOCOMD-CARDD approach for drug discovery: aiding decision-making in 'in silico' selection of new lead tyrosinase inhibitors.

Marrero-Ponce Y, Khan MT, Casañola-Martín GM, Ather A, Sultankhodzhaev MN, García-Domenech R, Torrens F, Rotondo R. Marrero-Ponce Y, et al. J Comput Aided Mol Des. 2007 Apr;21(4):167-88. doi: 10.1007/s10822-006-9094-7. Epub 2007 Feb 28. J Comput Aided Mol Des. 2007. PMID: 17333484

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