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Special Issue "Enabling Chemical Technologies in Medicinal Chemistry"
Deadline for manuscript submissions: closed (31 December 2019).
Interests: drug discovery; integrated flow systems for lead discovery; chemical probes for understudied biological targets; enabling chemical technologies to assist complex syntheses; automation; new processing methods for large-scale preparation
One of the major purposes of medicinal chemistry is the design and synthesis of new lead compounds for druggable targets. Lead discovery and optimization consist of iterative learning cycles, which start with molecular design before moving on to synthesis, testing, and structure–activity/structure–property relationship (SAR/SPR) analysis. Using traditional approaches, a significant time delay may occur from the design hypothesis to actual results, thus limiting the number of compounds that can be advanced into (pre)clinical studies.
Enabling chemical technologies are now offering novel solutions to this issue, as they offer the possibility to expedite medicinal chemistry programs that show a great potential in uncovering leads and drug candidates. These include predictive tools for compound design and synthetic route evaluation, chemical technologies as flow systems, bioreactors, nanotechnologies in catalysis, process control devices for in-line analysis and characterization, and, more recently, autonomous platforms and artificial intelligence. In addition, and just as importantly, the set-up and assessment of novel methods for library building as click chemistry and multicomponent reactions, as well as the process optimization for large-scale synthesis, have a considerable potential, especially when assisted by automation and learning machine.
This Special Issue of Molecules welcomes submissions of review and research articles covering the develoment and implementation of novel strategies and enabling chemical technologies that contribute to the shortening of medicinal chemistry discovery cycles.
Prof. Dr. Antimo Gioiello
Dr. Bruno Cerra
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. Molecules is an international peer-reviewed open access semimonthly 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 2000 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.
- Flow chemistry
- Process analytical technologies
- Novel reaction technologies
- Method development
- Learning machine and predictive tools