Literature DB >> 28813151

Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits.

Víctor Sebastián-Pérez1, Carlos Roca1, Mahendra Awale2, Jean-Louis Reymond2, Ana Martinez1, Carmen Gil1, Nuria E Campillo1.   

Abstract

Identification of new hits is one of the biggest challenges in drug discovery. Creating a library of well-characterized drug-like compounds is a key step in this process. Our group has developed an in-house chemical library called the Medicinal and Biological Chemistry (MBC) library. This collection has been successfully used to start several medicinal chemistry programs and developed in an accumulation of more than 30 years of experience in drug design and discovery of new drugs for unmet diseases. It contains over 1000 compounds, mainly heterocyclic scaffolds. In this work, analysis of drug-like properties and comparative study with well-known libraries by using different computer software are presented here.

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Year:  2017        PMID: 28813151     DOI: 10.1021/acs.jcim.7b00401

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN: 1549-9596            Impact factor:   4.956


  6 in total

1.  Discovery of Amoebicidal Compounds by Combining Computational and Experimental Approaches.

Authors:  Víctor Sebastián-Pérez; Ines Sifaoui; María Reyes-Batlle; Angélica Domínguez-De Barros; Atteneri López-Arencibia; Nuria E Campillo; José E Piñero; Jacob Lorenzo-Morales; Carmen Gil
Journal:  Antimicrob Agents Chemother       Date:  2021-01-20       Impact factor: 5.191

2.  Naphthoquinone as a New Chemical Scaffold for Leishmanicidal Inhibitors of Leishmania GSK-3.

Authors:  Victor Sebastián-Pérez; Paula Martínez de Iturrate; Montserrat Nácher-Vázquez; Luis Nóvoa; Concepción Pérez; Nuria E Campillo; Carmen Gil; Luis Rivas
Journal:  Biomedicines       Date:  2022-05-14

3.  Cyclic Nucleotide-Specific Phosphodiesterases as Potential Drug Targets for Anti-Leishmania Therapy.

Authors:  Victor Sebastián-Pérez; Sarah Hendrickx; Jane C Munday; Titilola Kalejaiye; Ana Martínez; Nuria E Campillo; Harry de Koning; Guy Caljon; Louis Maes; Carmen Gil
Journal:  Antimicrob Agents Chemother       Date:  2018-09-24       Impact factor: 5.191

4.  Identification of new allosteric sites and modulators of AChE through computational and experimental tools.

Authors:  Carlos Roca; Carlos Requena; Víctor Sebastián-Pérez; Sony Malhotra; Chris Radoux; Concepción Pérez; Ana Martinez; Juan Antonio Páez; Tom L Blundell; Nuria E Campillo
Journal:  J Enzyme Inhib Med Chem       Date:  2018-12       Impact factor: 5.051

5.  Targeting PDE10A GAF Domain with Small Molecules: A Way for Allosteric Modulation with Anti-Inflammatory Effects.

Authors:  Ana M García; José Brea; Alejandro González-García; Concepción Pérez; María Isabel Cadavid; María Isabel Loza; Ana Martinez; Carmen Gil
Journal:  Molecules       Date:  2017-09-04       Impact factor: 4.411

6.  Towards discovery of new leishmanicidal scaffolds able to inhibit Leishmania GSK-3.

Authors:  Paula Martínez de Iturrate; Victor Sebastián-Pérez; Montserrat Nácher-Vázquez; Catherine S Tremper; Despina Smirlis; Julio Martín; Ana Martínez; Nuria E Campillo; Luis Rivas; Carmen Gil
Journal:  J Enzyme Inhib Med Chem       Date:  2020-12       Impact factor: 5.051

  6 in total

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