Designing Next-Generation Drug-like Molecules for Medicinal Applications 2.0

Dear Colleagues,

The development of new drugs/drug candidates for medical treatment remains an exciting but challenging process, as only a limited number of synthetic compounds fit into the discovery and development process after experimentation and screening for their preclinical properties. Over the years, this continuous demand has been fueled by the use of organic/synthetic chemistry protocols that deliver new molecules or improve the existing toolbox, diversifying the libraries of pharmacophores of medicinal interest. The application of new methodologies, particularly those that employ green and sustainable commercial feedstock chemicals, for the discovery and development of biological therapeutics opens up new avenues of research. In parallel, the discovery and development of new organic molecules have always proved effective in designing drugs, while overcoming critical challenges to the pharmaceutical industry and providing innovative solutions toward commercialized medicines.

This Special Issue aims to provide a far-reaching overview of the most recent developments in synthetic methodologies, as well as medicinal chemistry applications of small-molecule inhibitors. We invite contributions that include short communications, full papers, and authoritative/tutorial reviews from colleagues working in organic chemistry and sustainable synthesis. In particular, we invite papers on the development of new drug inhibitors for medicinal applications. Furthermore, the scope of this Special Issue will cover exciting developments in the design strategies of new drugs/drug molecules, structure–activity relationships, in vitro and in silico analyses, and pharmacokinetic properties. We look forward to reading your contributions.

We encourage you to contribute to this scientific program by submitting your papers for this Special Issue of Molecules entitled “Designing Next-Generation Drug-like Molecules for Medicinal Applications 2.0”.

Dr. Imtiaz Khan
Dr. Sumera Zaib
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. 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 2700 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.

• catalysis
• sustainable chemistry
• heterocyclic synthesis
• green methodologies
• small-molecule inhibitors
• rational drug design
• enzyme inhibition
• medicinal chemistry
• heterogeneous disorders
• ADMET analysis
• structure–activity relationships
• biological assays
• in silico screening
• virtual screening
• pharmacophores

• Designing Next-Generation Drug-Like Molecules for Medicinal Applications in Molecules (18 articles)