Chemoinformatics for Marine Drug Discovery

Dear Colleagues,

In the ever-evolving landscape of pharmaceutical sciences, the integration of cutting-edge technologies and natural resources has become fundamental to groundbreaking advancements, particularly in the areas of dereplication and the prediction of bioactivities. Among these innovations, chemoinformatics and marine natural products (MNPs) stand out as pivotal elements driving the future of drug discovery.

Structure-based (SB) and ligand-based (LB) chemoinformatics approaches have become essential tools for the virtual screening of MNPs, whether in small datasets of isolated compounds or in large-scale databases. This Special Issue focuses on a comprehensive analysis of available MNP databases, the biological and chemical space defined by known MNPs, and the most common LB techniques (e.g., quantitative structure–activity relationships (QSARs), estimation of drug likeness, similarity searching, pharmacophore identification), alongside SB techniques (e.g., molecular dynamics, docking, binding cavity) in the virtual screening of MNPs.

Scientists working in this field are invited to submit their original research or review articles for publication in this Special Issue.

Dr. Florbela Pereira
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 250 words) can be sent to the Editorial Office for assessment.

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.