Novel Inhibitors: Design, Synthesis, Biological Activities and Modelling Studies

Dear Colleagues,

Altering enzyme activity has profound biological and medicinal effects; thus, enzyme inhibitors enable the selective inhibition of essential pathogenic enzymes (acting as antibiotics, antivirals, or antiparasitic agents) or of aberrant human enzymes (correcting for a pathological condition). Enzyme inhibitors may bind irreversibly (through covalent bonding) or reversibly (through non-covalent bonding), but in either case, drawbacks to the inherent mechanism of action must be considered, adding additional barriers to the development of viable inhibitors. This Special Issue pays homage to the drug discovery progress of inhibitors, which requires exceptional dedication, skill, and creativity.

For this Special Issue, we welcome papers that highlight the development and biological evaluation of organic compounds (this can be addressed from several sub-disciplines, including medicinal chemistry, total synthesis, natural product chemistry, and computational chemistry).

Dr. Hari Krishna Namballa
Dr. Velma Ganga Reddy
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.

• drug design
• medicinal chemistry
• organic synthesis
• total synthesis
• multi-drug resistance
• biological activity
• anticancer
• heterocyclic compounds
• cytotoxicity
• structure–activity relationship
• molecular modeling