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9.6
5.4
Journals
Marine Drugs
Special Issues
Marine Omics for Drug Discovery and Development
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Special Issue "Marine Omics for Drug Discovery and Development"

A special issue of Marine Drugs (ISSN 1660-3397). This special issue belongs to the section "Marine Biotechnology Related to Drug Discovery or Production".

Deadline for manuscript submissions: 30 April 2024 | Viewed by 1292

Special Issue Editor

Dr. Min Zhao

E-Mail Website
Guest Editor
School of Science, Technology and Engineering, University of the Sunshine Coast, Maroochydore, QLD DC 4558, Australia
Interests: bioinformatics; disease genomics; big data integration
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

We are excited to be hosting a special issue that will focus on the use of genomic, transcriptomic, proteomic, and metabolic tools to gain additional knowledge about marine organisms. We are interested in biomedical applications such as exploring more about the metabolic biodiversity we see in marine taxa today. We are also interested in more applied questions such as understanding more about natural product structure to natriuretic recommendations, finding solutions to bottlenecks in drug discovery, combating cancer and cardiovascular disease, and discovering natural products with real-world applications for biomedicine.

Dr. Min Zhao
Guest Editor

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. Marine Drugs 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 2900 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

  • marine genome
  • omics technology
  • marine natural products
  • marine drug discovery
  • high-throughput screening
  • computer-aided drug discovery/design
  • anti-disease
  • anti-cancer
  • anti-infectious
  • anti-inflammation
  • biological products
  • pharmacology
  • clinical outcome

Published Papers (1 paper)

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Research

17 pages, 5852 KiB  
Article
Network-Derived Radioresistant Breast Cancer Target with Candidate Inhibitors from Brown Algae: A Sequential Assessment from Target Selection to Quantum Chemical Calculation
by
Mahema Sivakumar
,
Sheikh F. Ahmad
,
Talha Bin Emran
,
Paola Isabel Angulo-Bejarano
,
Ashutosh Sharma
and
Shiek S. S. J. Ahmed
Mar. Drugs 2023, 21(10), 545; https://doi.org/10.3390/md21100545 - 19 Oct 2023
Viewed by 1119
Abstract
Despite significant progress in early detection and treatment, a few aggressive breast cancers still exhibit resistance to therapy. This study aimed to identify a therapeutic target for radioresistant breast cancer (RRbc) through a protein network from breast cancer genes and to evaluate potent [...] Read more.
Despite significant progress in early detection and treatment, a few aggressive breast cancers still exhibit resistance to therapy. This study aimed to identify a therapeutic target for radioresistant breast cancer (RRbc) through a protein network from breast cancer genes and to evaluate potent phytochemicals against the identified target. Our approach includes the integration of differential expression genes from expression datasets to create a protein network and to use survival analysis to identify the crucial RRbc protein in order to discover a therapeutic target. Next, the phytochemicals sourced from brown algae were screened through molecular docking, ADME (absorption, distribution, metabolism, and excretion), molecular dynamics (MD) simulation, MM-GBSA, and quantum mechanics against the identified target. As a result of our protein network investigation, the proto-oncogene c-KIT (KIT) protein was identified as a potent radioresistant breast cancer target. Further, phytochemical screening establishes that nahocol-A1 from brown algae has high binding characteristics (−8.56 kcal/mol) against the KIT protein. Then, quantum chemical analysis of nahocol-A1 provided insights into its electronic properties favorable for protein binding. Also, MD simulation comprehends the conformational stability of the KIT–nahocol-A1 complex. Overall, our findings suggest nahocol-A1 could serve as a promising therapeutic candidate for radioresistant breast cancer. Full article
(This article belongs to the Special Issue Marine Omics for Drug Discovery and Development)
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