Special Issue "Molecular Modeling Approaches and Therapeutic Repositioning of Drugs against COVID-19"
Special Issue Editor
Interests: medicinal chemistry & drug design; natural products; extraction of compounds of natural origin; new inhibitors; computer-aided drug design; structure-based virtual screening; pharmacophore modeling; molecular docking; molecular dynamics simulation
Special Issues and Collections in MDPI journals
Special Issue Information
Dear Colleagues,
Coronaviruses are a large family of viruses that are commonly found in many different species of animals, including camels, cattle, cats, and bats. Rarely, coronaviruses that infect animals can infect people, for example MERS-CoV and SARS-CoV. Recently, in December 2019, a new coronavirus (SARS-CoV-2) was transmitted, which was identified in Wuhan in China and caused COVID-19, and was then disseminated and transmitted from person to person, causing a pandemic and victimizing thousands of people around the world. This Special Issue is intended to provide an overview of the most recent advances in the field of new drug developments against SARS-CoV-2 and therapeutic drug repositioning against COVID-19. This Special Issue aims to provide selected contributions on the advances made using in silico approaches and experimental techniques, in addition to shedding light on the molecular mechanisms that cause the SARS-CoV-2 virus to infect humans.
Potential topics include, but are not limited to, the following:
- Molecular targets of SARS-CoV-2
- New drugs for COVID-19
- Repositioning of drugs for COVID-19
- Molecular mechanisms of COVID-19
- Computer-aided drug design against COVID-19
- Machine learning against COVID-19
- Experimental studies about COVID-19
Dr. Jorddy Cruz
Guest Editor
Manuscript Submission Information
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Keywords
- COVID-19
- SARS-CoV-2
- new drugs
- molecular modeling
- computer-aided drug design
- QSAR