Marco A. Loza-Mejía
National Autonomous University of Mexico
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Publication
Featured researches published by Marco A. Loza-Mejía.
Journal of Molecular Graphics & Modelling | 2015
Marco A. Loza-Mejía; Juan R. Salazar
Triterpenes and sterols are good candidates for the development of anti-inflammatory drugs and use in chemoprevention or chemotherapy of cancer via the interaction with therapeutic targets related to inflammation, such as COX-1 and -2; LOX-5; MPO, PLA2 and i-NOS. In this study, we use molecular docking to evaluate the potential binding of a database of selected sterol and triterpenoid compounds with several skeletons against enzymes related to inflammation to propose structural requirements beneficial for anti-inflammatory activity that can be used for the design of more potent and selective anti-inflammatory and antitumor drugs. Our results suggest that the substitution pattern is important and that there is an important relationship between the class of sterol or triterpenoid skeleton and enzyme binding.
Journal of Molecular Graphics & Modelling | 2009
Marco A. Loza-Mejía; Rafael Castillo; Alfonso Lira-Rocha
Although 9-anilinoacridines are among the best studied antitumoral intercalators, there are few studies about the effect of isosteric substitution of a benzene moiety for a heterocycle ring in the acridine framework. According to these studies, this approach may lead to effective cytotoxic agents, but good cytotoxic activity depends on structural requirements in the aniline ring which differ from those in 9-anilinoacridines. The present paper deals with molecular modeling studies of some 9-anilino substituted tricyclic compounds and their intercalation complexes (in various DNA sequences) resulting from docking the compounds into various DNA sequences. As expected, the isosteric substitution in 9-anilinoacridines influences the LUMO energy values and orbital distribution, the dipole moment, electrostatic charges and the conformation of the anilino ring. Other important differences are observed during the docking studies, for example, changes in the spatial arrangement of the tricyclic nucleus and the anilino ring at the intercalation site. Semiempirical calculations of the intercalation complexes show that the isosteric replacement of a benzene ring in the acridine nucleus affects not only DNA affinity but also base pair selectivity. These findings explain, at least partially, the different structural requirements observed in several 9-anilino substituted tricyclic compounds for cytotoxic activity. Thus, the data presented here may guide the rational design of new agents with different DNA binding properties and/or a cytotoxic profile by isosteric substitution of known intercalators.
Biomolecules | 2018
Marco A. Loza-Mejía; Juan R. Salazar; Juan Sánchez-Tejeda
An increasing occurrence of resistance in insect pests and high mammal toxicity exhibited by common pesticides increase the need for new alternative molecules. Among these alternatives, bioinsecticides are considered to be environmentally friendly and safer than synthetic insecticides. Particularly, plant extracts have shown great potential in laboratory conditions. However, the lack of studies that confirm their mechanisms of action diminishes their potential applications on a large scale. Previously, we have reported the insect growth regulator and insecticidal activities of secondary metabolites isolated from plants of the Calceolaria genus. Herein, we report an in silico study of compounds isolated from Calceolaria against acetylcholinesterase, prophenoloxidase, and ecdysone receptor. The molecular docking results are consistent with the previously reported experimental results, which were obtained during the bioevaluation of Calceolaria extracts. Among the compounds, phenylethanoid glycosides, such as verbascoside, exhibited good theoretical affinity to all the analyzed targets. In light of these results, we developed an index to evaluate potential multitarget insecticides based on docking scores.
Medicinal Chemistry Research | 2016
Francisco Reyes-Rangel; A. Kémish López-Rodríguez; Laura V. Pastrana-Cancino; Marco A. Loza-Mejía; José D. Solano; Rogelio Rodríguez-Sotres; Alfonso Lira-Rocha
Novel thiazolo[5,4-b]quinoline derivatives were prepared with or without a (2-(azacycloalkyl)ethyl)amino substituent at the 2-position. The effect of the substituent at 2-position on cytotoxic activity, DNA-intercalation and cytotoxic properties were evaluated. Substituents at 2-position bearing an aliphatic amine favored cytotoxicity, while removal of these substituents resulted in low or negligible cytotoxic properties. Additionally, the in silico predicted binding mode of the novel compounds into DNA correlated with the experimental intercalation data. These results suggest a strong influence of the substituent at 2-position on the DNA intercalation properties.
Heterocyclic Communications | 2016
Enrique de J. Mauriño-Reyes; Edgar González-Rodríguez; Francisco Reyes-Rangel; Alfonso Lira-Rocha; Marco A. Loza-Mejía
Abstract Fused tricyclic heterocycles are useful compounds in many areas of chemistry. In this study, 2,3-diaminoquinolin-4(1H)one (5), a key intermediate for the preparation of tricyclic compounds, was prepared from isatoic anhydride in four steps with high yields under mild conditions and an easy workup, with most of the reactions carried out in aqueous medium. Compound 5 was transformed into a series of tricyclic fused products 8 and 9.
European Journal of Medicinal Chemistry | 2011
Ignacio González-Sánchez; José D. Solano; Marco A. Loza-Mejía; Susana Olvera-Vázquez; Rogelio Rodríguez-Sotres; Julio Morán; Alfonso Lira-Rocha; Marco Cerbón
Bioorganic & Medicinal Chemistry | 2009
Marco A. Loza-Mejía; Susana Olvera-Vázquez; Karina Maldonado-Hernández; Teresita Guadarrama-Salgado; Ignacio González-Sánchez; Fernando Rodríguez-Hernández; José D. Solano; Rogelio Rodríguez-Sotres; Alfonso Lira-Rocha
Bioorganic & Medicinal Chemistry | 2008
Marco A. Loza-Mejía; Karina Maldonado-Hernández; Fernando Rodríguez-Hernández; Rogelio Rodríguez-Sotres; Ignacio González-Sánchez; Angelina Quintero; José D. Solano; Alfonso Lira-Rocha
Anticancer Research | 2012
Ignacio González-Sánchez; Alfonso Lira-Rocha; Navarrete A; Marco A. Loza-Mejía; Coronel-Cruz C; Mendoza-Rodríguez Ca; Marco Cerbón
Chemistry Central Journal | 2015
Dioxelis Lopez; Lilia Cherigo; Carmenza Spadafora; Marco A. Loza-Mejía; Sergio Martínez-Luis