Publications by the researcher in collaboration with MARIA DEL CARMEN VILLAVERDE CAMERON-WALKER (68)

2023

  1. Corrigendum to “Lithocholic acid-based design of noncalcemic vitamin D receptor agonists” [Bioorg. Chem. 111 (2021) 104878] (Bioorganic Chemistry (2021) 111, (S0045206821002558), (10.1016/j.bioorg.2021.104878))

    Bioorganic Chemistry

2021

  1. Lithocholic acid-based design of noncalcemic vitamin D receptor agonists

    Bioorganic Chemistry, Vol. 111

2018

  1. Environmental Effects Determine the Structure of Potential β-Amino Acid Based Foldamers

    Chemistry - A European Journal, Vol. 24, Núm. 42, pp. 10625-10629

2016

  1. 8-Aminomethyl-7-hydroxy-4-methylcoumarins as Multitarget Leads for Alzheimer's Disease

    ChemistrySelect, Vol. 1, Núm. 11, pp. 2742-2749

2015

  1. Computer-aided structure-based design of multitarget leads for Alzheimer's disease

    Journal of Chemical Information and Modeling, Vol. 55, Núm. 1, pp. 135-148

2013

  1. Effect of pH and ligand charge state on BACE-1 fragment docking performance

    Journal of Computer-Aided Molecular Design, Vol. 27, Núm. 5, pp. 403-417

2012

  1. Experimental and 'in silico' analysis of the effect of pH on HIV-1 protease inhibitor affinity: Implications for the charge state of the protein ionogenic groups

    Bioorganic and Medicinal Chemistry, Vol. 20, Núm. 15, pp. 4838-4847

2011

  1. On a possible neutral charge state for the catalytic dyad in β-secretase when bound to hydroxyethylene transition state analogue inhibitors

    Journal of Medicinal Chemistry, Vol. 54, Núm. 8, pp. 3081-3085

2010

  1. Effect of the protonation state of the titratable residues on the inhibitor affinity to BACE-1

    Biochemistry, Vol. 49, Núm. 34, pp. 7255-7263

2009

  1. Prediction and analysis of binding affinities for chemically diverse HIV-1 PR inhibitors by the modified SAFE-p approach

    Journal of Computational Chemistry, Vol. 30, Núm. 8, pp. 1229-1240

  2. Searching the conformational space of cyclic β-amino acid peptides

    Journal of Physical Chemistry B, Vol. 113, Núm. 29, pp. 9669-9680

2008

  1. Design, synthesis, evaluation, and crystallographic-based structural studies of HIV-1 protease inhibitors with reduced response to the V82A mutation

    Journal of Medicinal Chemistry, Vol. 51, Núm. 4, pp. 852-860

2007

  1. Inhibitor docking screened by the modified SAFE_p scoring function: Application to cyclic urea HIV-1 PR nhibitors

    Journal of Computational Chemistry, Vol. 28, Núm. 13, pp. 2216-2225

  2. The search for drug leads targeted to the β-secretase: An example of the roles of computer assisted approaches in drug discovery

    Current Topics in Medicinal Chemistry, Vol. 7, Núm. 10, pp. 980-990

  3. Total synthesis of (5S,6S)-6-amino-2,8-dimethylnonan-5-ol and (5S,6S)-6-amino-7-cyclohexyl-2-methylheptan-5-ol

    Arkivoc, Vol. 2007, Núm. 4, pp. 380-388

2004

  1. Predicting the Cell Differentiation Activity of 1α ,25-Dihydroxyvitamin D3 Side Chain Analogues from Docking Simulations

    Journal of Medicinal Chemistry, Vol. 47, Núm. 7, pp. 1613-1616

2002

  1. Modified solvent accessibility free energy prediction analysis of cyclic urea inhibitors binding to the HIV-1 protease

    Protein Engineering, Vol. 15, Núm. 9, pp. 707-711

1998

  1. Computer assisted evaluation of inhibitor sensitivity to HIV-1 PR mutants

    Advances in Experimental Medicine and Biology

  2. First total synthesis of 1,2,3,4-tetrahydronaphtho[2,1-f]isoquinolines

    Tetrahedron Letters, Vol. 39, Núm. 10, pp. 1231-1232

1997

  1. Solvation effects are responsible for the reduced inhibitor affinity of some HIV-1 PR mutants

    Protein Science, Vol. 6, Núm. 5, pp. 1024-1030