Special Issue "10th Brazilian Symposium on Medicinal Chemistry (BrazMedChem_2022)"

A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: 31 December 2022 | Viewed by 691

Special Issue Editors

Prof. Dr. Carlos Alberto Manssour Fraga
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Guest Editor
Director of Research and Post-Graduation, Institute of Biomedical Sciences, Federal University of Rio de Janeiro 21941902, Brazil
Interests: medicinal chemistry; drug design and discovery; multitarget drugs for neurodegenerative diseases; use of privileged structures to design new epigenetic drug candidates; discovery of new kinase inhibitors for chronic inflammatory diseases
Special Issues, Collections and Topics in MDPI journals
Dr. Arthur Eugen Kümmerle
E-Mail Website
Guest Editor
LaDMol-QM (Molecular Diversity and Medicinal Chemistry Laboratory), Departament of Organic Chemistry, Federal Rural University of Rio de Janeiro (UFRRJ), Seropédica, RJ, Brazil
Interests: Alzheimer; cancer; inflammation; multi-target compounds; theranostics; medicinal chemistry; organic synthesis
Dr. Hugo Verli
E-Mail Website
Guest Editor
Structural Bioinformatics Group, Department of Molecular Biology and Biotechnology, Institute of Biosciences, Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, Brazil
Interests: molecular modeling; molecular dynamics; docking; molecular recognition; SAR; molecular structure; molecular conformation

Special Issue Information

Dear Colleagues,

Back in 2001, when the first Brazilian Symposium on Medicinal Chemistry (BrazMedChem) was organized, we could never have imagined that it would become the largest scientific event exclusively dedicated to Medicinal Chemistry in Latin America. During the last twenty years, its various organizers have excelled in the design of multidisciplinary scientific programs that cover the most diverse disciplines and areas that constitute the mosaic of research in medicinal chemistry and complex chain of drug discovery and development. The presence of thousands of young and senior researchers around the world has been the registered trade of BrazMedChem, ensuring a friendly interactive and collaborative atmosphere, aiming to discuss the state of the art of medicinal chemistry and how our work and perspectives can help science to overcome all current challenges related to collective health and effective advances in pharmaceutical sciences and drug discovery.

BrazMedChem 2022 participants are cordially invited to contribute original research papers or reviews to this Special Issue of Pharmaceuticals. Other regular submissions are also cordially encouraged to this issue.

Prof. Dr. Carlos Alberto Manssour Fraga
Dr. Arthur Eugen Kümmerle
Dr. Hugo Verli
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Pharmaceuticals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2000 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • medicinal chemistry
  • drug design
  • drug discovery
  • drug development
  • molecular modeling
  • organic synthesis
  • pharmacological evaluation
  • drug targets
  • drugs for neglected diseases
  • drug candidates

Published Papers (1 paper)

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Research

Article
Discovery of Putative Dual Inhibitor of Tubulin and EGFR by Phenotypic Approach on LASSBio-1586 Homologs
Pharmaceuticals 2022, 15(8), 913; https://doi.org/10.3390/ph15080913 - 23 Jul 2022
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Abstract
Combretastatin A-4 (CA-4, 1) is an antimicrotubule agent used as a prototype for the design of several synthetic analogues with anti-tubulin activity, such as LASSBio-1586 (2). A series of branched and unbranched homologs of the lead-compound 2, and vinyl, [...] Read more.
Combretastatin A-4 (CA-4, 1) is an antimicrotubule agent used as a prototype for the design of several synthetic analogues with anti-tubulin activity, such as LASSBio-1586 (2). A series of branched and unbranched homologs of the lead-compound 2, and vinyl, ethinyl and benzyl analogues, were designed and synthesized. A comparison between the cytotoxic effect of these homologs and 2 on different human tumor cell lines was performed from a cell viability study using MTT with 48 h and 72 h incubations. In general, the compounds were less potent than CA-4, showing CC50 values ranging from 0.030 μM to 7.53 μM (MTT at 72 h) and 0.096 μM to 8.768 μM (MTT at 48 h). The antimitotic effect of the target compounds was demonstrated by cell cycle analysis through flow cytometry, and the cellular mechanism of cytotoxicity was determined by immunofluorescence. While the benzyl homolog 10 (LASSBio-2070) was shown to be a microtubule stabilizer, the lead-compound 2 (LASSBio-1586) and the methylated homolog 3 (LASSBio-1735) had microtubule destabilizing behavior. Molecular docking studies were performed on tubulin protein to investigate their binding mode on colchicine and taxane domain. Surprisingly, the benzyl homolog 10 was able to modulate EGFR phosphorylate activity in a phenotypic model. These data suggest LASSBio-2070 (10) as a putative dual inhibitor of tubulin and EGFR. Its binding mode with EGFR was determined by molecular docking and may be useful in lead-optimization initiatives. Full article
(This article belongs to the Special Issue 10th Brazilian Symposium on Medicinal Chemistry (BrazMedChem_2022))
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