KARINA MARTINEZ MAYORGA



DATOS GENERALES
Nombre completo   KARINA MARTINEZ MAYORGA
Máximo nivel de estudios   DOCTORADO
Antigüedad académica en la UNAM   13 años
NOMBRAMIENTOS
Vigente   INVESTIGADOR TITULAR B TC Definitivo
Instituto de Química
Desde 01-05-2024
INVESTIGADOR TITULAR B TC Definitivo
Instituto de Investigaciones en Matemáticas Aplicadas y en Sistemas
Desde 01-02-2022 hasta 30-04-2024
INVESTIGADOR TITULAR B TC Definitivo
Instituto de Química
Desde 01-10-2021 hasta 31-01-2022
INVESTIGADOR TITULAR A TC Definitivo
Instituto de Química
Desde 01-06-2018 hasta 30-09-2021
INVESTIGADOR TITULAR A TC No Definitivo
Instituto de Química
Desde 01-09-2012 hasta 31-05-2018
ESTIMULOS, PROGRAMAS, PREMIOS Y RECONOCIMIENTOS
* SNI III2022 - VIGENTE
* SNI II2013 - 2021
* SNI I2010 - 2012
* PRIDE D2023 - 2024
* PASPA Estancias Sabáticas2020 - 2021

INFORMACIÓN DE PUBLICACIONES
Firmas  
Martinez Mayorga, Karina Martinez, K Martinez-Mayorga K. Martinez-Mayorga, K Martinez-Mayorga, K. Martinez-Mayorga, Karina
Mayorga, Karina Martinez
ID's SCOPUS  
56000741900
Áreas de conocimiento  
Agriculture, multidisciplinary Biochemistry and molecular biology Biophysics Computer science, information systems Computer science, interdisciplinary applications
Chemistry, medicinal Chemistry, multidisciplinary Chemistry, organic Mathematical and computational biology Multidisciplinary sciences
Pharmacology and pharmacy Toxicology Agricultural and Biological Sciences (miscellaneous) Biochemistry Biophysics
Computer science (miscellaneous) Computer science applications Condensed matter physics Chemical Engineering (miscellaneous) Chemistry (miscellaneous)
Drug discovery Education Engineering (miscellaneous) Food Science Genetics
Health, toxicology and mutagenesis Library and information sciences Medicine (miscellaneous) Multidisciplinary Organic chemistry
Pharmaceutical Science Pharmacology Pharmacology, toxicology and pharmaceutics (miscellaneous) Physical and theoretical chemistry Spectroscopy
Toxicology
Coautorías con entidades de la UNAM  
  • Centro de Nanociencias y Nanotecnología en la UNAM
  • Instituto de Investigaciones Biomédicas
  • Instituto de Química
  • Instituto de Investigaciones en Matemáticas Aplicadas y en Sistemas
  • Facultad de Ciencias
  • Facultad de Medicina
  • Facultad de Química
  • Facultad de Estudios Superiores "Cuautitlán"
  • Facultad de Estudios Superiores "Zaragoza"
  • Dirección General de Asuntos del Personal Académico
Revistas en las que ha publicado  (39):
  1. Abstracts Of Papers Of The American Chemical Society, Estados Unidos America (2013, 2017, 2018, 2019)
  2. ACS CHEMICAL NEUROSCIENCE, Estados Unidos America (2020)
  3. Acs Omega, Estados Unidos America (2021)
  4. Advances in Food and Nutrition Research, Estados Unidos America (2009)
  5. Advances in Protein Chemistry and Structural Biology, Estados Unidos America (2014, 2018)
  6. Amino Acids, Austria (2017)
  7. Arkivoc, Estados Unidos America (2003)
  8. BIOCHEMICAL PHARMACOLOGY, Estados Unidos America (2015)
  9. BIOCHEMISTRY, Estados Unidos America (2012, 2014)
  10. BIOORGANIC & MEDICINAL CHEMISTRY, Reino Unido (2012, 2014)
  11. BIOPHYSICAL JOURNAL, Estados Unidos America (2021)
  12. CANADIAN JOURNAL OF CHEMISTRY, Canada (2024)
  13. Computation, Suiza (2024)
  14. Computational and Structural Biotechnology Journal, Suecia (2022)
  15. CHEMICAL RESEARCH IN TOXICOLOGY, Estados Unidos America (2019)
  16. CHEMICAL SCIENCE, Reino Unido (2024)
  17. DRUG DISCOVERY TODAY, Reino Unido (2015, 2017, 2021)
  18. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, Francia (2013)
  19. EXPERT OPINION ON DRUG DISCOVERY, Reino Unido (2014, 2020)
  20. F1000 Research, Reino Unido (2021)
  21. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, Suiza (2023)
  22. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, Estados Unidos America (2013)
  23. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, Países Bajos (2017, 2021, 2022)
  24. JOURNAL OF CHEMICAL INFORMATION AND MODELING, Estados Unidos America (2012)
  25. JOURNAL OF CHEMINFORMATICS, Reino Unido (2017, 2023, 2024)
  26. JOURNAL OF MOLECULAR MODELING, Estados Unidos America (2015)
  27. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, Estados Unidos America (2012)
  28. Journal Of The Mexican Chemical Society, México (2017)
  29. Methods in Molecular Biology, Estados Unidos America (2015)
  30. ORGANIC & BIOMOLECULAR CHEMISTRY, Reino Unido (2013)
  31. Physical Sciences Reviews, Alemania (2019)
  32. PLOS ONE, Estados Unidos America (2012, 2013, 2023)
  33. RSC ADVANCES, Reino Unido (2021)
  34. SAR AND QSAR IN ENVIRONMENTAL RESEARCH, Reino Unido (2017)
  35. Scientific Data, Reino Unido (2024)
  36. SCIENTIFIC REPORTS, Reino Unido (2019)
  37. Sn Applied Sciences, Suiza (2021)
  38. STRUCTURAL CHEMISTRY, Estados Unidos America (2017)
  39. TOXICOLOGY RESEARCH, Reino Unido (2019)


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Documentos indexados (WoS y Scopus)

# Título del documento Autores Año Revista Fuente Citas WoS Citas Scopus
1Synthesis of bisindolyl diphenylene from its ketone derivatives by infrared irradiation supported on a natural clayCoautor: Martínez-Mayorga K., Mora R.A.L., Barrera-Téllez F., Rosas-Jiménez J.G., et al.2024CANADIAN JOURNAL OF CHEMISTRYWoS-id: 001074727500001
Scopus-id: 2-s2.0-85181850479
00
2Are new ideas harder to find? A note on incremental research and Journal of Cheminformatics? Scientific Contribution StatementCoautor: Martinez-Mayorga K., Zdrazil B., Guha R., Jeliazkova N.2024JOURNAL OF CHEMINFORMATICSWoS-id: 001142502800001
Scopus-id: 2-s2.0-85182474214
01
3The pursuit of accurate predictive models of the bioactivity of small moleculesCoautor: Martinez-Mayorga K., Gonzalez-Ponce K., Neme A., Rosas-Jiménez J.G., et al.2024CHEMICAL SCIENCEWoS-id: 001143528400001
Scopus-id: 2-s2.0-85182872710
1111
4To Bind or Not to Bind? A Comprehensive Characterization of TIR1 and Auxins Using Consensus In Silico ApproachesCoautor y autor de correspondencia: Martínez-Mayorga K., Prieto-Martínez F.D., Mendoza-Cañas J.2024ComputationWoS-id: 001232994400001
Scopus-id: 2-s2.0-85194264566
00
5Quantum Topological Atomic Properties of 44K moleculesCoautor: Martínez-Mayorga, K, Meza-González, B, Ramírez-Palma, DI, Carpio-Martínez, P, et al.2024Scientific DataWoS-id: 001303626100001
Scopus-id: 2-s2.0-85202808116
11
6A look back at a pilot of the citation typing ontologyCoautor: Martinez-Mayorga, Karina, Guha, Rajarshi, Zdrazil, Barbara, Jeliazkova, Nina2023JOURNAL OF CHEMINFORMATICSWoS-id: 000926216400004
Scopus-id: 2-s2.0-85147530869
11
7Modifications in the piperazine ring of nucleozin affect anti-influenza activityCoautor: Martinez-Mayorga, Karina, Correa-Padilla, Erick, Hernandez-Cano, Alejandro, Cuevas, Gabriel, et al.2023PLOS ONEWoS-id: 000960011600001
Scopus-id: 2-s2.0-85147861327
44
8Improving reproducibility and reusability in the Journal of CheminformaticsCoautor: Martinez-Mayorga K., Hoyt C.T., Zdrazil B., Guha R., et al.2023JOURNAL OF CHEMINFORMATICSWoS-id: 001022413600001
Scopus-id: 2-s2.0-85163884394
55
9School of cheminformatics in Latin AmericaCoautor: Martinez-Mayorga, Karina, Gonzalez-Ponce, Karla, Horta Andrade C., Hunter, Fiona, et al.2023JOURNAL OF CHEMINFORMATICSWoS-id: 001070256500002
Scopus-id: 2-s2.0-85171459238
22
10In Silico Exploration of the Trypanothione Reductase (TryR) of L. mexicanaCoautor: Martínez-Mayorga K., Barrera-Téllez F.J., Prieto-Martínez F.D., Hernández-Campos A., et al.2023INTERNATIONAL JOURNAL OF MOLECULAR SCIENCESWoS-id: 001114525400001
Scopus-id: 2-s2.0-85178334825
11
11Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovatorCoautor: Martinez-Mayorga, Karina, Shanmugasundaram, Veerabahu, Bajorath, Juergen, Christoffersen, Ralph E., et al.2022JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGNWoS-id: 000854389800001
Scopus-id: 2-s2.0-85138158321
00
12Subtle structural differences of nucleotide analogs may impact SARS-CoV-2 RNA-dependent RNA polymerase and exoribonuclease activityCoautor: Martinez-Mayorga, Karina, Madariaga-Mazon, Abraham, Naveja, Jose J., Becerra, Arturo, et al.2022Computational and Structural Biotechnology JournalWoS-id: 000875635800009
Scopus-id: 2-s2.0-85138454866
11
13DiaNat-DB: A molecular database of antidiabetic compounds from medicinal plantsCoautor: Martinez-Mayorga K., Madariaga-Mazón A., Naveja J.J., Medina-Franco J.L., et al.2021RSC ADVANCESWoS-id: 000612838700044
Scopus-id: 2-s2.0-85100170169
2328
14Membrane Curvature Revisited the Archetype of Rhodopsin Studied by Time-Resolved Electronic SpectroscopyCoautor: Martinez-Mayorga, Karina, Fried, Steven D. E., Lewis, James W., Szundi, Istvan, et al.2021BIOPHYSICAL JOURNALWoS-id: 000630949500006
Scopus-id: 2-s2.0-85099479302
1313
15Predictive Global Models of Cruzain Inhibitors with Large Chemical CoverageCoautor: Martinez-Mayorga, Karina, Guadalupe Rosas-Jimenez, Jose, Garcia-Revilla, Marco A., Madariaga-Mazon, Abraham2021Acs OmegaWoS-id: 000631101200024
Scopus-id: 2-s2.0-85103483571
1213
16Union is strength: antiviral and anti-inflammatory drugs for COVID-19Coautor: Martinez-Mayorga, Karina, Naveja, Jose J., Madariaga-Mazon, Abraham, Flores-Murrieta, Francisco, et al.2021DRUG DISCOVERY TODAYWoS-id: 000632655700011
Scopus-id: 2-s2.0-85095590581
2222
17Bias-inducing allosteric binding site in mu-opioid receptor signalingCoautor y autor de correspondencia: Martinez-Mayorga, Karina, Marmolejo-Valencia, Andres F., Madariaga-Mazon, Abraham2021Sn Applied SciencesWoS-id: 000641256800001
Scopus-id: 2-s2.0-85104770788
56
18Encoding mu-opioid receptor biased agonism with interaction fingerprintsCoautor: Martinez-Mayorga, Karina, Bruno Hernandez-Alvarado, R., Madariaga-Mazon, Abraham, Cosme-Vela, Fernando, et al.2021JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGNWoS-id: 000712176800001
Scopus-id: 2-s2.0-85118209971
22
19Rationality over fashion and hype in drug design2ᵒ autor: Martinez-Mayorga K., Medina-Franco J.L., Fernández-De Gortari E., Kirchmair J., et al.2021F1000 ResearchScopus-id: 2-s2.0-85107836930
022
20The impact of chemoinformatics on drug discovery in the pharmaceutical industry1ᵉʳ autor: Martinez-Mayorga, Karina, Madariaga-Mazon, Abraham, Medina-Franco, Jose L., Maggiora, Gerald2020EXPERT OPINION ON DRUG DISCOVERYWoS-id: 000509317000001
Scopus-id: 2-s2.0-85078419784
6367
21DARK Classics in Chemical Neuroscience: Salvinorin ACoautor: Martinez-Mayorga, Karina, Hernandez-Alvarado, R. Bruno, Madariaga-Mazon, Abraham, Ortega, Alfredo2020ACS CHEMICAL NEUROSCIENCEWoS-id: 000596879100012
Scopus-id: 2-s2.0-85096710288
1720
22Distribution of toxicity values across different species and modes of action of pesticides from PESTIMEP and PPDB databasesCoautor: Martinez-Mayorga, Karina, Madariaga-Mazon, Abraham, Osnaya-Hernandez, Adriana, Chavez-Gomez, Arni, et al.2019TOXICOLOGY RESEARCHWoS-id: 000460303900017
Scopus-id: 2-s2.0-85062329335
68
23Enhancing Acute Oral Toxicity Predictions by using Consensus Modeling and Algebraic Form-Based 0D-to-2D Molecular EncodesCoautor: Martinez-Mayorga K., García-Jacas C.R., Marrero-Ponce Y., Cortés-Guzmán F., et al.2019CHEMICAL RESEARCH IN TOXICOLOGYWoS-id: 000472241800029
Scopus-id: 2-s2.0-85067419259
2323
24(Q) SAR, agrochemicals & regulation: The role of the computational and chemical biology group at Unam, MexicoCoautor: Martinez Mayorga, Karina, Madariaga, Abraham, Barroso-Flores, Joaquin, Cortes-Guzman, Fernando2019Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000478860500077
00
25Local vs global models for the prediction of acute oral toxicity in ratCoautor: Mayorga, Karina Martinez, Hernandez, Bruno, Gomez-Jimenez, Gabriela, Madariaga, Abraham2019Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000478860500100
00
26Classification models of pesticides by mode of actionCoautor: Mayorga, Karina Martinez, Osnaya-Hernandez, Adriana, Gomez-Jimenez, Gabriela, Chavez, Daniel, et al.2019Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000478860503857
00
27Learn deep before deep learning1ᵉʳ autor: Mayorga, Karina Martinez, Gomez Jimenez, Gabriela, Madariaga-Mazon, Abraham2019Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000478860503904
00
28Computational toxicology e-textbook: A tool for an undergraduate course to understand and use toxicological information to avoid risk2ᵒ autor y autor de correspondencia: Martinez Mayorga, Karina, Gonzalez Ponce, Karla2019Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000478861200502
00
29Flexibility at different stages of mechanism of activation of the GPCR-prototype agrees with local motions explored by molecular dynamics simulationsCoautor y autor de correspondencia: Martinez Mayorga, Karina, Gonzalez Ponce, Karla, Madariaga, Abraham2019Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000478861202634
00
30Pharmacophore generation of mu-opioid receptor biased-ligands: Uncovering structural features from molecular modeling analysisCoautor y autor de correspondencia: Mayorga, Karina Martinez, Hernandez, Bruno, Madariaga, Abraham2019Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000478861202645
00
31Structure-based identification of a potential non-catalytic binding site for rational drug design in the fructose 1,6-biphosphate aldolase from Giardia lambliaCoautor: Martinez-Mayorga, Karina, Mendez, Sara-Teresa, Castillo-Villanueva, Adriana, Reyes-Vivas, Horacio, et al.2019SCIENTIFIC REPORTSWoS-id: 000480517600008
Scopus-id: 2-s2.0-85070903478
12
32Prediction of toxicity of secondary metabolitesCoautor y autor de correspondencia: Martinez-Mayorga, Karina, Bruno Hernandez-Alvarado, Ricardo, Madariaga-Mazon, Abraham2019Physical Sciences ReviewsWoS-id: 000494966100005
Scopus-id: 2-s2.0-85077370439
44
33Toxicity of secondary metabolitesCoautor: Martinez-Mayorga, Karina, Madariaga-Mazon, Abraham, Bruno Hernandez-Alvarado, Ricardo, Olivia Noriega-Colima, Karla, et al.2019Physical Sciences ReviewsWoS-id: 000498892300005
Scopus-id: 2-s2.0-85077334778
2130
34Chemical space of in-use and banned pesticides1ᵉʳ autor: Mayorga, Karina Martinez, Chavez-Gomez, Daniel, Cortes-Guzman, Fernando2018Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000435537700098
00
35From KDD to computational toxicology: A course for graduate students in Mexico1ᵉʳ autor: Mayorga, Karina Martinez, Gonzalez-Ponce, Karla2018Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000435537703310
00
36Search of biased mu-opioid receptor ligands from natureCoautor y autor de correspondencia: Mayorga, Karina Martinez, Madariaga, Abraham, Marmolejo, Andres2018Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000447600003316
00
37Outlook on the development of antidiabetic compounds: Databases, scaffolds and current trends2ᵒ autor y autor de correspondencia: Mayorga, Karina Martinez, Madariaga, Abraham2018Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000447600003356
00
38The OECD Principles for (Q)SAR Models in the Context of Knowledge Discovery in Databases (KDD)Coautor: Martinez-Mayorga K., Gomez-Jimenez G., Gonzalez-Ponce K., Castillo-Pazos D.J., et al.2018Advances in Protein Chemistry and Structural BiologyWoS-id: 000452395800005
Scopus-id: 2-s2.0-85046685330
2327
39Database fingerprint (DFP): an approach to represent molecular databasesCoautor: Martinez-Mayorga, Karina, Fernandez-de Gortari, Eli, Garcia-Jacas, Cesar R., Medina-Franco, Jose L.2017JOURNAL OF CHEMINFORMATICSWoS-id: 000394312200001
Scopus-id: 2-s2.0-85011559271
6365
40Conformation-dependent QSAR approach for the prediction of inhibitory activity of bromodomain modulators2ᵒ autor: Martinez-Mayorga, K., Garcia-Jacas, C. R., Marrero-Ponce, Y., Medina-Franco, J. L.2017SAR AND QSAR IN ENVIRONMENTAL RESEARCHWoS-id: 000395173400003
Scopus-id: 2-s2.0-85011681208
1819
41Allosteric modulation model of the mu opioid receptor by herkinorin, a potent not alkaloidal agonist2ᵒ autor y autor de correspondencia: Martinez-Mayorga, K., Marmolejo-Valencia, A. F.2017JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGNWoS-id: 000401265900004
Scopus-id: 2-s2.0-85016591603
1616
42QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computationsCoautor: Martinez-Mayorga, Karina, Valdes-Martini, Jose R., Marrero-Ponce, Yovani, Garcia-Jacas, Cesar R., et al.2017JOURNAL OF CHEMINFORMATICSWoS-id: 000403106200001
Scopus-id: 2-s2.0-85020299774
5760
43A 3D structural model of RsXXVIA, an omega-conotoxinCoautor: Martinez-Mayorga, Karina, Roman-Gonzalez, Sergio A., Edinho Robles-Gomez, Edson, Reyes, Jorge, et al.2017STRUCTURAL CHEMISTRYWoS-id: 000404241800001
Scopus-id: 2-s2.0-84996538634
22
44Tensor algebra-based geometric methodology to codify central chirality on organic moleculesCoautor: Martinez-Mayorga, K., Garcia-Jacas, C. R., Marrero-Ponce, Y., Hernandez-Ortega, T., et al.2017SAR AND QSAR IN ENVIRONMENTAL RESEARCHWoS-id: 000406128400007
Scopus-id: 2-s2.0-85023751735
33
45Targeting cancer-specific glycans by cyclic peptide lectinomimicsCoautor: Martinez Mayorga, Karina, Rodriguez, Maria C., Yongye, Austin B., Cudic, Mihael, et al.2017Amino AcidsWoS-id: 000412914100007
Scopus-id: 2-s2.0-85029115451
67
46Mu-Opioid receptor biased ligands: A safer and painless discovery of analgesics?Coautor: Martinez-Mayorga, Karina, Madariaga-Mazon, Abraham, Marmolejo-Valencia, Andres F., Li, Yangmei, et al.2017DRUG DISCOVERY TODAYWoS-id: 000416496500012
Scopus-id: 2-s2.0-85028072141
8490
47Toxicity Assessment of Structurally Relevant Natural Products from Mexican Plants with Antinociceptive Activity1ᵉʳ autor: Martinez-Mayorga, Karina, Marmolejo-Valencia, Andres F., Cortes-Guzman, Fernando, Carlos Garcia-Ramos, Juan, et al.2017Journal Of The Mexican Chemical SocietyWoS-id: 000423271500003
80
48Exploring opioid receptor-ligand binding patterns, as a fingerprint to identify potential biased agonists1ᵉʳ autor: Mayorga, Karina Martinez, Madariaga-Mazon, Abraham, Garcia-Jacas, Cesar2017Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000429525602762
00
49Allosteric modulation model of the mu opioid receptor by herkinorin via docking, molecular dynamics simulations and alchemical free energy calculations1ᵉʳ autor: Mayorga, Karina Martinez, Marmolejo-Valencia, Andres2017Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000429525603807
00
50Identification of potent and compartment-selective small molecule furin inhibitors using cell-based assaysCoautor: Martinez-Mayorga K., Ramos-Molina B., Lick A.N., Blanco E.H., et al.2015BIOCHEMICAL PHARMACOLOGYWoS-id: 000357066300004
Scopus-id: 2-s2.0-84930576034
1115
51Cruzain inhibitors: efforts made, current leads and a structural outlook of new hits1ᵉʳ autor: Martinez-Mayorga K., Byler K.G., Ramirez-Hernandez A.I., Terrazas-Alvares D.E.2015DRUG DISCOVERY TODAYWoS-id: 000358390800014
Scopus-id: 2-s2.0-84936846448
5055
52A theoretical biogenesis overview of diterpenes isolated from Salvia microphyllaCoautor: Martinez-Mayorga K., Posada-Salgado J.A., Bautista E., Cuevas G.2015JOURNAL OF MOLECULAR MODELINGWoS-id: 000384976900001
Scopus-id: 2-s2.0-84946831898
33
53Interaction fingerprints and their applications to identify hot spotsCoautor: Martinez-Mayorga K., Marmolejo A.F., Medina-Franco J.L., Giulianotti M.2015Methods in Molecular BiologyScopus-id: 2-s2.0-84938885789
03
54Balancing novelty with confined chemical space in modern drug discovery2ᵒ autor: Martinez-Mayorga K., Medina-Franco J.L., Meurice N.2014EXPERT OPINION ON DRUG DISCOVERYWoS-id: 000330074400005
Scopus-id: 2-s2.0-84893101922
4149
55Retinal ligand mobility explains internal hydration and reconciles active rhodopsin structuresCoautor: Martínez-Mayorga K., Leioatts N., Mertz B., Romo T.D., et al.2014BIOCHEMISTRYWoS-id: 000330204800011
Scopus-id: 2-s2.0-84892685953
4439
56The Interplay Between Molecular Modeling and Chemoinformatics to Characterize Protein-Ligand and Protein-Protein Interactions Landscapes for Drug DiscoveryCoautor y autor de correspondencia: Martinez-Mayorga K., Medina-Franco J.L., Méndez-Lucio O.2014Advances in Protein Chemistry and Structural BiologyWoS-id: 000344511900002
Scopus-id: 2-s2.0-84913581995
2732
57Synthesis, anti-inflammatory activity and modeling studies of cycloartane-type terpenes derivatives isolated from Parthenium argentatumCoautor: Martinez-Mayorga K., Romero J.C., Martínez-Vázquez A., Herrera M.P., et al.2014BIOORGANIC & MEDICINAL CHEMISTRYWoS-id: 000345650800018
Scopus-id: 2-s2.0-84913530198
1112
58Identification of a Small Molecule That Selectively Inhibits Mouse PC2 over Mouse PC1/3: A Computational and Experimental StudyCoautor: Martinez-Mayorga K., Yongye A.B., Vivoli M., Lindberg I., et al.2013PLOS ONEWoS-id: 000316658800053
Scopus-id: 2-s2.0-84874335068
35
59The role of imidazole in peptide cyclization by transesterification: parallels to the catalytic triads of serine proteasesCoautor: Martinez-Mayorga K., Byler K.G., Li Y., Houghten R.A.2013ORGANIC & BIOMOLECULAR CHEMISTRYWoS-id: 000317692400011
Scopus-id: 2-s2.0-84879473389
1617
60Systematic mining of generally recognized as safe (GRAS) flavor chemicals for bioactive compounds1ᵉʳ autor: Martinez-Mayorga K., Peppard T.L., López-Vallejo F., Yongye A.B., et al.2013JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRYWoS-id: 000323020500012
Scopus-id: 2-s2.0-84881260273
2227
61Ligand/kappa-opioid receptor interactions: Insights from the X-ray crystal structure1ᵉʳ autor: Martinez-Mayorga K., Byler K.G., Yongye A.B., Giulianotti M.A., et al.2013EUROPEAN JOURNAL OF MEDICINAL CHEMISTRYWoS-id: 000323628500012
Scopus-id: 2-s2.0-84879219202
1312
62Modeling of potent and selective kappa opioid receptor peptide inhibitors in light of the X-ray crystal structure1ᵉʳ autor: Martinez-Mayorga, K, Byler, KG, Yongye, AB, Giulianotti, MA, et al.2013Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000323851304318
00
63Molecular modeling of trypanosomal cathepsins1ᵉʳ autor: Martinez-Mayorga, K, Byler, KG2013Abstracts Of Papers Of The American Chemical SocietyWoS-id: 000323851304319
00
64Identification of benzoylisoquinolines as potential anti-Chagas agentsCoautor: Martínez-Mayorga K., Byler K.G., Brito-Arias M., Marquez-Navarro A., et al.2012BIOORGANIC & MEDICINAL CHEMISTRYWoS-id: 000302767100013
Scopus-id: 2-s2.0-84859423617
1012
65Recognizing Pitfalls in Virtual Screening: A Critical ReviewCoautor: Martínez-Mayorga K., Scior T., Bender A., Tresadern G., et al.2012JOURNAL OF CHEMICAL INFORMATION AND MODELINGWoS-id: 000303038000001
Scopus-id: 2-s2.0-84862027743
326376
66Furin inhibitors: Importance of the positive formal charge and beyond2ᵒ autor y autor de correspondencia: Martínez-Mayorga K., López-Vallejo F.2012BIOORGANIC & MEDICINAL CHEMISTRYWoS-id: 000305952500033
Scopus-id: 2-s2.0-84863221458
1314
67Molecular recognition of the thomsen-friedenreich antigen-threonine conjugate by adhesion/growth regulatory galectin-3: Nuclear magnetic resonance studies and molecular dynamics simulationsCoautor: Martínez-Mayorga K., Yongye A.B., Calle L., Ardá A., et al.2012BIOCHEMISTRYWoS-id: 000308787600007
Scopus-id: 2-s2.0-84866386447
3030
68Erratum: Furin inhibitors: Importance of the positive formal charge and beyond (Bioorganic and Medicinal Chemistry (2012) 20 (4462-4471))2ᵒ autor y autor de correspondencia: Martínez-Mayorga K., López-Vallejo F.2012BIOORGANIC & MEDICINAL CHEMISTRYWoS-id: 000309594200020
Scopus-id: 2-s2.0-84866921102
11
69Prediction of the experimental regioselectivity of C 60 fullerene bis-adductsCoautor: Martínez-Mayorga K., Chaker L., Yongye A.B., Nefzi A.2012JOURNAL OF PHYSICAL ORGANIC CHEMISTRYWoS-id: 000310486900004
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33
70Chemoinformatic Analysis of GRAS (Generally Recognized as Safe) Flavor Chemicals and Natural Products2ᵒ autor: Martínez-Mayorga K., Medina-Franco J.L., Peppard T.L., Del Rio A.2012PLOS ONEWoS-id: 000312376100197
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3039
71Chemoinformatics-applications in food chemistry1ᵉʳ autor: Martinez-Mayorga K., Medina-Franco J.L.2009Advances in Food and Nutrition ResearchWoS-id: 000310873800002
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2329
72Toward the origin of the conformational preference of 2-methoxyoxane, a model useful to study the anomeric effect1ᵉʳ autor: Martinez, K, Cortes, F, Leal, I, Reyna, V, et al.2003ArkivocWoS-id: 000220556800014
90
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