147 results on '"Bello, Martiniano"'
Search Results
2. Evaluation of structural and thermodynamic insight of ERβ with DPN and derivatives through MMGBSA/MMPBSA methods
3. In silico design and cell-based evaluation of two dual anti breast cancer compounds targeting Bcl-2 and GPER
4. Structural basis of Nrf2 activation by flavonolignans from silymarin
5. CDK4 as a phytochemical based anticancer drug target
6. Interactions of a boron-containing levodopa derivative on D2 dopamine receptor and its effects in a Parkinson disease model
7. Computational analysis uncovers the deleterious SNPs along with the mutational spectrum of p53 gene and its differential expression pattern in pan-cancer
8. Energetic and structural basis for the differences in infectivity between the wild-type and mutant spike proteins of SARS-CoV-2 in the Mexican population
9. Structural analogues of existing anti-viral drugs inhibit SARS-CoV-2 RNA dependent RNA polymerase: A computational hierarchical investigation
10. Prediction of potential inhibitors of the dimeric SARS-CoV2 main proteinase through the MM/GBSA approach
11. Complexation of peptide epitopes with G4-PAMAM dendrimer through ligand diffusion molecular dynamic simulations
12. Molecular insights into how SHBG dimerization exerts changes on ligand molecular recognition
13. Exploring the inhibitory activity of valproic acid against the HDAC family using an MMGBSA approach
14. Dissecting the molecular recognition of dual lapatinib derivatives for EGFR/HER2
15. Structural insights into SARS-CoV-2 spike protein and its natural mutants found in Mexican population
16. Complexation of methotrexate via ligand diffusion molecular dynamic simulations under neutral, basic, and acidic conditions
17. Structural and energetic basis for novel epicatechin derivatives acting as GPER agonists through the MMGBSA method
18. In silico search, chemical characterization and immunogenic evaluation of amino-terminated G4-PAMAM-HIV peptide complexes using three-dimensional models of the HIV-1 gp120 protein
19. Unveiling the Mechanisms of EGCG–p53 Interactions through Molecular Dynamics Simulations.
20. Evaluation of Urtica dioica Phytochemicals against Therapeutic Targets of Allergic Rhinitis Using Computational Studies.
21. Antineoplastic effect of compounds C14 and P8 on TNBC and radioresistant TNBC cells by stabilizing the K-Ras4BG13D/PDE6δ complex.
22. Binding mechanism of kinase inhibitors to EGFR and T790M, L858R and L858R/T790M mutants through structural and energetic analysis
23. Several effects of boron are induced by uncoupling steroid hormones from their transporters in blood
24. Structural and energetic basis for the molecular recognition of dual synthetic vs. natural inhibitors of EGFR/HER2
25. Cell-based assays and molecular dynamics analysis of a boron-containing agonist with different profiles of binding to human and guinea pig beta2 adrenoceptors
26. Molecular recognition between potential natural inhibitors of the Keap1-Nrf2 complex
27. Study of new interactions of glitazone’s stereoisomers and the endogenous ligand 15d-PGJ2 on six different PPAR gamma proteins
28. Binding free energy calculations using MMPB/GBSA approaches for PAMAM-G4-drug complexes at neutral, basic and acid pH conditions
29. Molecular recognition between pancreatic lipase and natural and synthetic inhibitors
30. Identification of saquinavir as a potent inhibitor of dimeric SARS-CoV2 main protease through MM/GBSA
31. Hydroxamic acid derivatives as HDAC1, HDAC6 and HDAC8 inhibitors with antiproliferative activity in cancer cell lines
32. Determining Structural Changes for Ligand Recognition between Human and Rat Phosphorylated BACE1 in Silico and Its Phosphorylation by GSK3β at Thr252 by in Vitro Studies.
33. Energetic and conformational features linked to the monomeric and dimeric states of bovine BLG
34. Understanding the molecular basis of agonist/antagonist mechanism of GPER1/GPR30 through structural and energetic analyses
35. Molecular dynamics simulations depict structural motions of the whole human aryl hydrocarbon receptor influencing its binding of ligands and HSP90.
36. Targeting quorum sensing by designing azoline derivatives to inhibit the N-hexanoyl homoserine lactone-receptor CviR: Synthesis as well as biological and theoretical evaluations
37. Structural and energetic analysis to provide insight residues of CYP2C9, 2C11 and 2E1 involved in valproic acid dehydrogenation selectivity
38. The small organic molecule C19 binds and strengthens the KRAS4b-PDEδ complex and inhibits growth of colorectal cancer cells in vitro and in vivo
39. Evaluating the ability of end-point methods to predict the binding affinity tendency of protein kinase inhibitors.
40. Predicting peptide vaccine candidates against H1N1 influenza virus through theoretical approaches
41. Structure and dynamics of β-lactoglobulin in complex with dodecyl sulfate and laurate: A molecular dynamics study
42. Folding and Homodimerization of Wheat Germ Agglutinin
43. Seeking potential anticonvulsant agents that target GABAA receptors using experimental and theoretical procedures
44. Identification of peptide epitopes of the gp120 protein of HIV-1 capable of inducing cellular and humoral immunity.
45. Mapping the intrinsically disordered properties of the flexible loop domain of Bcl-2: a molecular dynamics simulation study
46. In silico design of HDAC6 inhibitors with neuroprotective effects.
47. Elucidation of the inhibitory activity of plant-derived SARS-CoV inhibitors and their potential as SARS-CoV-2 inhibitors.
48. Elucidation of the inhibitory activity of ivermectin with host nuclear importin α and several SARS-CoV-2 targets.
49. Theoretical analysis of the neuraminidase epitope of the Mexican A H1N1 influenza strain, and experimental studies on its interaction with rabbit and human hosts
50. Microsecond MD Simulations to Explore the Structural and Energetic Differences between the Human RXRα-PPARγ vs. RXRα-PPARγ-DNA.
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