Publications by the researcher in collaboration with FREDY SOLOMON SUSSMAN (22)

2019

  1. Chain-Branched polyhydroxylated Octahydro-1H-Indoles as potential leads against lysosomal storage diseases

    Pharmaceuticals, Vol. 12, Núm. 2

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. Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains

    Chemistry - A European Journal, Vol. 18, Núm. 2, pp. 603-612

  2. 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

  2. Synthesis and biological evaluation of 1α,25-dihydroxyvitamin D 3 analogues hydroxymethylated at C-26

    Journal of Medicinal Chemistry, Vol. 54, Núm. 11, pp. 3950-3962

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

  2. Studies on the stereocontrolled transformation of nitrohexofuranoses into 2-oxabicyclo[2.2.1]heptanes. V: Synthesis of enantiopure methyl (1R,2R,4S)-2-amino-4-hydroxycyclopentanecarboxylate

    Tetrahedron Asymmetry, Vol. 21, Núm. 1, pp. 116-122

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

  2. Stereocontrolled transformation of nitrohexofuranoses into cyclopentylamines via 2-oxabicyclo[2.2.1]heptanes. III: synthesis of enantiopure methyl (1S,2S,3R,4S,5R)-2-amino-3,4,5-trihydroxycyclopentanecarboxylate

    Tetrahedron Asymmetry, Vol. 19, Núm. 24, pp. 2907-2912

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