Structure-Based Drug Design and New Methodologies

Dear Colleagues,

Today, the design of new drugs is primarily inspired by studying the structures and functions that result from noncovalent interactions between two or more chemical entities. These interactions include electrostatic forces such as hydrogen bonding, dipole–dipole, ion–dipole and π-π interactions, and hydrophobic effects. They are used to explore molecular recognition and the assembly of well-ordered chemical structures (supramolecular chemistry). These interactions lead to self-assembly processes in host–guest interactions and in cocrystals.

In addition to the noncovalent interactions present in pharmacological systems, this Special Issue also aims to be a window for new proteolysis targeting chimera (PROTAC) technologies, which expand therapeutic possibilities beyond conventional inhibition.

This Special Issue will contribute to the field by studying noncovalent interactions for the development of supramolecular chemistry. It will also provide a better understanding of drug behavior in biological systems, enabling us to improve therapeutic benefits.

Prof. Dr. Francisco Javier Martínez-Martínez
Dr. Lina Barragán
Dr. José Luis Madrigal
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 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. Crystals 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 2100 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.