José Correa‐Basurto

Research interests

Publications

• An investigation on the molecular structure, interaction with metal clusters, anti-Covid-19 ability of 2-deoxy-D-glucose: DFT calculations, MD and docking simulations

  Journal of Molecular Structure · 2022 · 10.1016/j.molstruc.2022.132678

• New compounds from heterocyclic amines scaffold with multitarget inhibitory activity on Aβ aggregation, AChE, and BACE1 in the Alzheimer disease

  PLoS ONE · 2022 · 10.1371/journal.pone.0269129

• Structural insights into SARS-CoV-2 spike protein and its natural mutants found in Mexican population

  Scientific Reports · 2021 · 10.1038/s41598-021-84053-8

• Hydroxamic acid derivatives as HDAC1, HDAC6 and HDAC8 inhibitors with antiproliferative activity in cancer cell lines

  Scientific Reports · 2020 · 10.1038/s41598-020-67112-4

• Exploring the inhibitory activity of valproic acid against the HDAC family using an MMGBSA approach

  Journal of Computer-Aided Molecular Design · 2020 · 10.1007/s10822-020-00304-2

• In vitro and in silico studies of terpenes, terpenoids and related compounds with larvicidal and pupaecidal activity against Culex quinquefasciatus Say (Diptera: Culicidae)

  Chemistry Central Journal · 2018 · 10.1186/s13065-018-0425-2

• Insights into structural features of HDAC1 and its selectivity inhibition elucidated by Molecular dynamic simulation and Molecular Docking

  Journal of Biomolecular Structure and Dynamics · 2018 · 10.1080/07391102.2018.1441072

• Antihyperglycemic activity of the leaves from Annona cherimola miller and rutin on alloxan-induced diabetic rats

  Pharmacognosy Research · 2017 · 10.4103/0974-8490.199781

• Current Tools and Methods in Molecular Dynamics (MD) Simulations for Drug Design

  Current Medicinal Chemistry · 2016 · 10.2174/0929867323666160530144742

• Asp32 and Asp228 determine the selective inhibition of BACE1 as shown by docking and molecular dynamics simulations

  European Journal of Medicinal Chemistry · 2016 · 10.1016/j.ejmech.2016.08.028

• N-(2-hydroxyphenyl)-2-propylpentanamide, a valproic acid aryl derivative designed in silico with improved anti-proliferative activity in HeLa, rhabdomyosarcoma and breast cancer cells

  Journal of Enzyme Inhibition and Medicinal Chemistry · 2016 · 10.1080/14756366.2016.1210138

• Deciphering the GPER/GPR30-agonist and antagonists interactions using molecular modeling studies, molecular dynamics, and docking simulations

  Journal of Biomolecular Structure and Dynamics · 2015 · 10.1080/07391102.2014.994102

• Design, synthesis and biological evaluation of quinazoline derivatives as anti-trypanosomatid and anti-plasmodial agents

  European Journal of Medicinal Chemistry · 2015 · 10.1016/j.ejmech.2015.04.028

• The effects of (−)-epicatechin on endothelial cells involve the G protein-coupled estrogen receptor (GPER)

  Pharmacological Research · 2015 · 10.1016/j.phrs.2015.08.014

• Design of Multi-Target Compounds as AChE, BACE1, and Amyloid-β 1-42 Oligomerization Inhibitors: In Silico and In Vitro Studies

  Journal of Alzheimer s Disease · 2014 · 10.3233/jad-140471

• Antileishmanial activity of quinazoline derivatives: Synthesis, docking screens, molecular dynamic simulations and electrochemical studies

  European Journal of Medicinal Chemistry · 2014 · 10.1016/j.ejmech.2014.12.051

• Automated docking for novel drug discovery

  Expert Opinion on Drug Discovery · 2013 · 10.1517/17460441.2013.794780

• Exploration of human serum albumin binding sites by docking and molecular dynamics flexible ligand–protein interactions

  Biopolymers · 2009 · 10.1002/bip.21314

• Docking and quantum mechanic studies on cholinesterases and their inhibitors

  European Journal of Medicinal Chemistry · 2006 · 10.1016/j.ejmech.2006.08.015

Current projects

No projects listed.