Abstract
The 1st Spring Virtual Meeting on Medicinal Chemistry was held virtually on 26 May 2021. The event was organized by the Medicinal Chemistry Division of the Portuguese Chemical Society (SPQ) and was endorsed by the European Federation for Medicinal Chemistry and Chemical Biology. Three plenary lectures were delivered by renowned international scientists, and seven oral communications were presented by young researchers to a significant number of attendees of 20 nationalities. This issue presents the proceedings of this meeting in the form of abstracts for papers presented at the conference.
Highlights
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We report on the structure-based virtual screening (SBVS), design, synthesis and structure–activity relationships (SARs) of the first class of selective, antibacterial agents against the energy-coupling factor (ECF) transporters
Having identified a druggable pocket in the crystal structure of the L. delbrueckii ECF transporter, which should play a key role in the unique mechanism of transport, our SBVS of the zinc library afforded a fragment-like hit with a good in vitro and cell-based activity and a good in vitro absorption, distribution, metabolism, excretion, and toxicity (ADMET) profile
Summary
Publisher’s Note: MDPI stays neutral with regard to jurisdictional claims in published maps and institutional affiliations. Depending on the chemical nature of the parent drug and the therapeutic target, the prodrug design can often represent a comparably smaller challenge than the alternative of searching for a new therapeutically active molecule that inherently possesses the desired absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties. 1 Department of Chemical Technology of Drugs, Medical University of Gdansk, 80-416 Gdansk, Poland; malgorzata.morawskaa@gmail.com
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