Publications

53.     Espinoza-Fonseca LM (2019). Probing the effects of nonannular lipid binding on the stability of the calcium pump SERCA. Sci. Rep. 9 (1), 3349

52.     Glaves JP, Primeau JO, Espinoza-Fonseca LM, Lemieux MJ, and Young HS (2019) The phospholamban pentamer interacts with the sarcoplasmic reticulum calcium pump SERCA. Biophys. J. 116:633-647.

51.     Castro-Torres E, Jimenez-Sandoval P, Fernández-de Gortari E, López-Castillo M, Baruch-Torres N, López-Hidalgo M, Díaz-Quezada C, Sotelo-Mundo R, Benitez-Cardoza CG, Espinoza-Fonseca LM, Ochoa-Leyva A, and Brieba LG (2018) Structural basis for the limited response to oxidative and thiol-conjugating agents by Triosephosphate Isomerase from the photosynthetic bacteria Synechocystis. Front. Mol. Biosci. 5:103. 

 

50.     Fernández-de Gortari E and Espinoza-Fonseca LM (2018) Structural basis for relief of phospholamban-mediated inhibition of the sarcoplasmic reticulum Ca2+-ATPase at saturating Ca2+ conditions. J. Biol. Chem. 293, 12405-12414.

49. Fernández-de Gortari E and Espinoza-Fonseca LM (2017) Preexisting domain motions underlie protonation-dependent structural transitions of the Ca2+-ATPase. Phys. Chem. Chem. Phys. 19, 10153-10162.

 

48. Espinoza-Fonseca LM (2017) The Ca2+-ATPase pump facilitates bidirectional proton transport across the sarcoplasmic reticulum. Mol. Biosyst. 13, 633-637.

 

47.  Autry JM, Thomas DD, and Espinoza-Fonseca (2016) Sarcolipin promotes uncoupling of the SERCA Ca2+ pump by inducing a structural rearrangement in the energy-transduction domain. Biochemistry. 55:6083-6086. 

 

46.  Colson BA, James ZM, Thompson A, Espinoza-Fonseca LM, and Thomas DD. (2016). Structural dynamics of cardiac myosin binding protein-C phosphorylation. PNAS. 113:3233-3238.

 

45. Espinoza-Fonseca LM. (2016) Pathogenic mutation R959W alters recognition dynamics of dysferlin inner DysF domain. Mol. Biosyst. 12:973-981.

 

44. Karim CB, Espinoza-Fonseca LM, Hanse EA, James Z, Gaynes J, Thomas DD and Kelekar A. (2015) Phosphorylation of human Noxa causes a conformational change that alters its binding properties. Scientific Reports. 5:14557.

 

43. Ramirez-Salinas GL and Espinoza-Fonseca LM. (2015) Atomistic characterization of the step of calcium pump activation associated with proton countertransport. Biochemistry. 54:5235-5241.

 

42.  Espinoza-Fonseca LM and Ramirez-Salinas GL (2015) Microsecond molecular simulations reveal a transient proton pathway in the calcium pump. J. Am. Chem. Soc. 137:7055-7058.

 

41.  Alamo, L, Li, X, Espinoza-Fonseca LM, Pinto A, W Lehman, DD Thomas, and R Padrón. (2015) Tarantula Myosin Free Head Regulatory Light Chain Phosphorylation Stiffens N-terminal Extension Permanently Releasing it and Blocking its Docking Back. Mol. Biosyst. 11:2180-2189.

 

40. Espinoza-Fonseca LM, Alamo L, Pinto A, Thomas DD and Padrón R. (2015) Sequential Myosin Phosphorylation Activates Tarantula Thick Filament via a Disorder-Order Transition. Mol. Biosyst. 11:2167-2179.

 

39. Espinoza-Fonseca LM and Kelekar A. (2015) High-resolution structural characterization of Noxa, an intrinsically disordered protein, by microsecond molecular dynamics simulations. Mol Biosyst. 11: 1850-1856. 

 

38. Espinoza-Fonseca LM, Autry JM and Thomas DD (2015) Sarcolipin and phospholamban populate an identical regulatory E1 intermediate of the calcium pump. Biochem. Biophys. Res. Comm. 463:37-41.

 

37.  Espinoza-Fonseca LM, Autry JM, Ramírez-Salinas GL and Thomas DD (2015) Atomic-level mechanisms for phospholamban regulation of the calcium pump. Biophys. J. 108:1697-1708.

 

36.  Castillo P, Cetina AF, Méndez-Tenorio A, Espinoza-Fonseca LM and Barrón BL (2014) Papillomavirus binding factor is an intrinsically disordered protein. Theor. Biol. Med. Modell. 11:51.

 

35.  Espinoza-Fonseca LM, Colson BA and Thomas DD (2014) Effects of pseudophosphorylation mutants on the structural dynamics of smooth muscle myosin regulatory light chain. Mol. Biosyst. 10:2693-2698.

 

34.  Espinoza-Fonseca LM, Autry JM and Thomas DD (2014) Microsecond molecular dynamics simulations of Mg2+- and K+- bound E1 intermediate states of the calcium pump. PLoS ONE. 9:e95979.

 

33.  Espinoza-Fonseca LM, Ilizaliturri-Flores I, Correa-Basurto J (2012) Backbone conformational preferences of an intrinsically disordered protein in solution. Mol. Biosyst. 8:1798–1805.

 

32.   Espinoza-Fonseca LM (2012) Dynamic optimization of signal transduction via intrinsic disorder. Mol. Biosyst. 8:194-197.

 

31.   Espinoza-Fonseca LM (2012) Aromatic residues link binding and function of intrinsically disordered proteins. Mol. Biosyst. 8:237-246.

 

30.  Espinoza-Fonseca LM, Thomas DD (2011) Atomic-level characterization of the activation mechanism of SERCA by calcium. PloS ONE. 6:e26936.

 

29.  Kast D, Espinoza-Fonseca LM, Yi C, Thomas DD (2010) Phosphorylation-induced structural changes in smooth muscle myosin. Proc. Nat. Acad. Sci. USA. 107:8207-8212.

 

28.   Espinoza-Fonseca LM, Wong C, Trujillo-Ferrara JG. (2010) Tyr74 is essential for the formation, stability and function of Plasmodium falciparum triosephosphate isomerase dimer. Arch. Biochem. Biophys. 494:46-57.

 

27.  Espinoza-Fonseca LM (2009) Thermodynamic aspects of coupled binding and folding of an intrinsically disordered protein: a computational alanine scanning study. Biochemistry. 48:11332-11334.

 

26.   Espinoza-Fonseca LM (2009) Reconciling binding mechanisms of intrinsically disordered proteins. Biochem. Biophys. Res. Commun. 382:479-482.

 

25.  Espinoza-Fonseca LM (2009) Leucine-rich hydrophobic clusters promote folding of the N-terminus of the intrinsically disordered transactivation domain of p53. FEBS Lett. 583:556-560.

 

24.   Correa-Basurto J, Rodríguez-Páez L, Aguilar-Moreno ES, López-Sánchez P, Espinoza-Fonseca LM, Wong C, Trujillo-Ferrara J (2009) Computational and experimental evaluation of ornithine derivatives as ornithine decarboxylase inhibitors. Med. Chem. Res. 18:20-30.

 

23.   Espinoza-Fonseca LM, Kast D, Thomas DD (2008) Thermodynamic and structural basis of phosphorylation-induced disorder-to-order transition in the regulatory light chain of smooth muscle myosin. J. Am. Chem. Soc. 130:12208-12209.

 

22.   Espinoza-Fonseca LM. (2008) Knowledgebase for addiction-related genes: is it possible an extrapolation to multi-target drug design? Bioorg. Med. Chem. 16:9346-9348.

 

21.  Espinoza-Fonseca LM, Garcia-Machorro J (2008) Aromatic-aromatic interactions in the formation of the MDM2-p53 complex. Biochem. Biophys. Res. Commun. 370:547-551.

 

20.   Espinoza-Fonseca LM, Pedretti A, Vistoli G (2008) Structure and dynamics of the full-length M1 muscarinic acetylcholine receptor studied by molecular dynamics simulations. Arch. Biochem. Biophys. 469:142-150.

 

19.   Guevara-Salazar JA, Espinoza-Fonseca M, Beltran HI, Correa-Basurto J, Quintana-Zavala D, Trujillo-Ferrara JG (2007) The electronic influence on the active site-directed inhibition of acetylcholinesterase by N-aryl-substituted-succinimides. J. Mex. Chem. Soc. 51:222-227.

 

18.  Espinoza-Fonseca LM, Kast D, Thomas DD (2007) Molecular dynamics simulations reveal a disorder-to-order transition upon phosphorylation of smooth muscle myosin. Biophys. J. 93:2083-2090.

 

17.  Correa-Basurto J, Flores-Sandoval M, Rojo-Domínguez A, Espinoza-Fonseca LM, Trujillo-Ferrara J (2007) Docking and quantum mechanics studies of cholinesterase inhibitors. Eur. J. Med. Chem. 42:10-19.

 

16.  Espinosa-Raya J, Espinoza-Fonseca LM, Picasso O, Trujillo-Ferrara JG (2007) Effect of a M1 allosteric modulator on scopolamine-induced amnesia. Med. Chem. 3:7-11.

 

15.  Espinoza-Fonseca LM, Trujillo-Ferrara, JG (2006) Towards a rational design of selective multi-trypanosomatid inhibitors: a computational docking study. Bioorg. Med. Chem. Lett. 16:6288-6292.

 

14.   Espinoza-Fonseca LM, Trujillo-Ferrara JG (2006) Conformational changes of the p53-binding cleft of MDM2 revealed by molecular dynamics simulations. Biopolymers. 83: 365-373.

13.   Espinoza-Fonseca LM, Trujillo-Ferrara JG (2006) Fully Flexible docking models of the complex between the α7 nicotinic receptor and a heptapeptide inhibitor of the β-amyloid peptide binding. Bioorg. Med. Chem. Lett. 16:3519-3523.

 

12.   Correa-Basurto J, Espinosa-Raya J, González-May M, Espinoza-Fonseca LM, Vázquez-Alcántara I, Trujillo-Ferrara J (2006) Inhibition of  acetylcholinesterase by two arylderivatives, 3a-Acetoxy-5H-pyrrolo(1,2-a) (3,1)benzoxazin-1,5-(3aH)-dione and cis-N-p-Acetoxy-phenylisomaleimide. J. Enz. Inhib. Med. Chem. 21:133-138. 

 

11.   Espinoza-Fonseca LM, Trujillo-Ferrara JG (2006) Transient stability of the helical pattern of regions F19-L22 of the N-terminal domain of p53: a molecular dynamics simulation study. Biochem. Biophys. Res. Comm. 343:110-116.

 

10.  Espinoza-Fonseca LM, Trujillo-Ferrara, JG (2006) The existence of a second allosteric site on the Muscarinic M1 receptor and its implications for drug design. Bioorg. Med. Chem. Lett. 16:1217-1220. 

 

9.    Espinoza-Fonseca LM. (2006) The benefits of the multi-target approach in drug design and discovery. Bioorg. Med. Chem. 14:896-897.

 

8.  Espinoza-Fonseca LM, Trujillo-Ferrara, JG. (2005) Identification of multiple allosteric sites on the M1 muscarinic acetylcholine receptor.  FEBS Lett. 579:6726-6732. 

 

7.   Espinoza-Fonseca LM (2005) Targeting MDM2 by the small molecule RITA: towards the development of new multi-target drugs against cancer. Theor. Biol. Med. Modell. 2, 38. 

 

6.   Correa-Basurto J, Vazquez-Alcantara I, Espinoza-Fonseca LM, Trujillo-Ferrara J. (2005) p-Aminobenzoic Acid Derivatives as Acetylcholinesterase Inhibitors. Eur. J. Med. Chem. 40:732-735.

 

5.    Espinoza-Fonseca LM, Trujillo-Ferrara, J. (2005) Structural considerations for the rational design of selective anti-trypanosomal agents: The role of the aromatic clusters at the interface of triosephosphate isomerase dimer. Biochem. Biophys. Res. Commun. 328:922-928.

 

4.  Espinoza-Fonseca LM. (2004) Molecular docking of four β-amyloid1-42 fragments on the α7 nicotinic receptor: delineating the binding site of the alpha-beta peptide. Biochem. Biophys. Res. Commun. 323:1191-1196.

 

3.  Espinoza-Fonseca LM. (2004) Base docking model of the homomeric α7 nicotinic receptor-β-amyloid1-42 complex. Biochem. Biophys. Res. Commun. 320:587-591.

 

2.  Espinoza-Fonseca LM, Trujillo-Ferrara J. (2004) Exploring the Possible binding sites at the interface of triosephosphate isomerase dimer as a potential target for anti-tripanosomal drug design. Bioorg. Med. Chem. Lett. 14:3151-3154. 

 

1.  Trujillo-Ferrara J, Montoya-Cano L, Espinoza-Fonseca M. (2003) Synthesis, anticholinesterase activity and structure-activity relationships of m-Aminobenzoic acid derivatives. Bioorg. Med. Chem. Lett. 13:1825-1827.