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Proceedings, Volume 22, Issue 1

MMCS 2019 2019 - 117 articles

The 2nd Molecules Medicinal Chemistry Symposium (MMCS): Facing Novel Challenges in Drug Discovery

Barcelona, Spain | 15–17 May 2019

Volume Editor:
Diego Muñoz-Torrero, University of Barcelona, Spain
F. Javier Luque, University of Barcelona, Spain

Cover Story: This issue of Proceedings gathers papers presented at 2nd MMCS (Barcelona, Spain, 15-17 May 2019). Encouraged by the great success of the initial small-format monographic MMCS2017, the three-day MMCS2019 grew naturally by addressing a larger audience and essentially all topics of medicinal chemistry. The MMCS2019 was organized into a number of thematic sessions on medicinal chemistry of particularly challenging diseases, novel and revisited drug discovery approaches, and medicinal chemistry stories about recently implemented projects in any area not covered in the other sessions, from target and hit identification to hit-to-lead optimization, tuning of physicochemical and pharmacokinetic properties, preclinical and clinical development, etc.
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Articles (117)

  • Abstract
  • Open Access
1,125 Views
1 Page

Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase Through Target-Focused Modelling

  • Imane Bjij,
  • Pritika Ramharack,
  • Shama Khan,
  • Driss Cherqaoui and
  • Mahmoud Soliman

The Nedd4-1 E3 Ubiquitin ligase has been implicated in multiple disease conditions due its overexpression. Although the Nedd4-1 E3 Ubiquitin ligase is an enzyme that may be targeted either covalently, or non-covalently, there are few studies that dem...

  • Extended Abstract
  • Open Access
1,195 Views
2 Pages

In Silico Design of Bacterial N-acetylglucosaminidase Inhibitors with Potential Antibacterial Activity

  • Janja Sluga,
  • Tihomir Tomašič,
  • Tjaša Tibaut,
  • Marko Anderluh,
  • Gregor Bajc,
  • Sara Pintar,
  • Dušan Turk and
  • Marjana Novič

Staphylococcus aureus is a widespread gram-positive pathogen in humans and animals. Autolysin E (AtlE) is an enzyme from S. aureus which belongs to the glycoside hydrolase 73 family. [...]

  • Abstract
  • Open Access
1,222 Views
1 Page

Fragment-based drug discovery (FBDD) has become a major strategy to derive novel lead candidates for both new and established therapeutic targets, as it promises efficient exploration of chemical space by employing fragment-sized (MW 300) compounds....

  • Extended Abstract
  • Open Access
1,197 Views
1 Page

4,4-Disubstituted N-benzylpiperidines: A Novel Class of Fusion Inhibitors of Influenza Virus H1N1 Targeting a New Binding Site in Hemagglutinin

  • Sonia De Castro,
  • Evelien Vanderlinden,
  • Tiziana Ginex,
  • Manon Laporte,
  • Annelies Stevaert,
  • Lieve Naesens,
  • Francisco Javier Luque,
  • María José Camarasa and
  • Sonsoles Velázquez

Influenza epidemics are estimated to result in 3–5 million cases of severe illness and 290.000–650.000 deaths per year. [...]

  • Extended Abstract
  • Open Access
1,195 Views
2 Pages

Determination of the Binding Sites of Activators within the Proteasome Structure

  • Malgorzata Gizynska,
  • Julia Witkowska,
  • Przemyslaw Karpowicz,
  • Fabian Henneberg,
  • Ashwin Chari,
  • Artur Gieldon and
  • Elzbieta Jankowska

The proteasome degrade most of the proteins in eukaryotic cells, thereby controlling the key cellular processes [...]

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Proceedings - ISSN 2504-3900