New Screening of Marine Natural Products

Dear Colleagues,

In parallel with the progress made in solved protein structures over the past six decades, over 40,000 marine natural product (MNP) structures have been identified. Notably, recent advancements in deep learning methodologies have propelled protein structure prediction to new heights. Consequently, the structure-based screening of MNPs is undergoing transformation. Computational models, biochemical assays, and cellular models have emerged as pivotal strategies for marine drug discovery. This Special Issue aims to compile cutting-edge research encompassing MNP databases, structure-guided drug discovery and pharmacological studies of MNPs, and predictive methods for MNP activities. Submissions focusing on both the methodological advancements in MNP screening and the pharmacology of MNPs are highly encouraged.

Dr. Ximing Xu
Dr. Jiejie Hao
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. 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.

• structure-based marine drug discovery
• screening of marine natural products
• molecular docking
• high-throughput screening
• activity prediction of marine natural products
• deep learning
• machine learning
• molecular dynamics simulation