Special Issue "Computational Approaches for the Discovery and Development of Pharmacologically Active Natural Products"
Deadline for manuscript submissions: 28 February 2021.
Interests: drug discovery; computational medicinal chemistry; chemoinformatics; molecular modeling; epigenetics; natural products; food chemicals.
Special Issues and Collections in MDPI journals
Natural products continue to be a significant source of active compounds. Natural products from different sources have provided a large number of molecules approved for clinical use or that have been used as starting points for hit-to-lead optimization programs. Similarly, natural products have inspired the synthesis and development of biologically active molecules. However, identifying and developing pharmacologically active natural products efficiently and systematically is challenging. To this end, a broad range of computational approaches have evolved in recent years. The goal of this Special Issue is to present recent progress on computationally driven advances and the applications of different methods to identify and develop pharmacologically active natural products.
We invite scientists to submit their original research (as full papers or short communications) and review papers for publication in this Special Issue. The topics of interest include but are not limited to the virtual screening and molecular modelling of natural products and semi-synthetic compounds, reverse pharmacognosy or target fishing, the computer-guided optimization of hits from natural sources, and natural product databases: new or updated databases, the chemoinformatic analysis of the contents, diversity, and the coverage of chemical space.
I look forward to your contributions.
Prof. Dr. José L. Medina-Franco
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 papers will be 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. Biomolecules 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 1800 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.
- natural products
- natural product databases
- semi-synthetic compounds
- drug discovery
- target fishing
- virtual screening
- molecular modelling.
The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.
Title: DiaNat-DB: A database of biologically active compounds from antidiabetic plants
Authors: Abraham Madariaga Mazon; Karina Martinez Mayorga
Affiliation: Universidad Nacional Autónoma de México, Ciudad de México, Mexico