Use of ensemble docking to repurpose drugs to fight Zika infections

webinar

Wed, 20 Mar 2019, 16:00 CET (Berlin)

Dr. Gustavo Seabra, Assistant Professor, Federal University of Pernambuco, Brazil

Use of ensemble docking to repurpose drugs to fight Zika infections

Zika is a disease caused by the flavivirus Zika Virus (ZIKV), causing mostly mild symptoms such as fever, rash, head­aches, joint and muscle pain and conjunctivitis. It has received renewed attention in the last years due to the 2015 outbreak in South America, which revealed its ability to also cause fetal malformation and Guillain-Barré Syndrome.

Most efforts against Zika and related infections focus on efforts to generate a vaccine or eradicate the urban vec­tor, the mosquito Aedes aegypti, which is also responsible for transmission of other arboviruses such as Dengue, Yellow Fever and Chikungunya. However, once infected, there is no specific medicine available to com­bat the virus, and the options are restricted to symptomatic treatment.

One alternative to a long drug development program, which can take over 10 years with no guarantee of reach­ing a candidate, is to repurpose already available drugs to combat other diseases. In this webinar a recent effort will be shown in which Molecular Dynamics and Docking simulations were combined to scan a database of FDA-approved drugs for molecules that could potentially be used to fight Zika infection.

Current news

category
Events
Announcing BioSolveIT's DrugSpace Symposium 2025: Bridging Science
June 26, 2025 09:43 CEST
We are pleased to announce the fourth edition of the BioSolveIT DrugSpace Symposium, taking place on September 24–25, 2025. This year’s theme, “Bridging Science,” highlights the growing importance of interdisciplinary collaboration in driving innovation across the drug discovery landscape. As the field evolves, it becomes increasingly clear that real progress...
Read on
Psst... Are You Following Us Yet? Follow the Science (and a Bit More)
June 25, 2025 08:44 CEST
There’s a lot going on behind the scenes—ideas taking shape, tools evolving, science in motion. And while the website tells you what our software does, our social media gives you a look at how it lives. We’re active on LinkedIn, BlueSky, and YouTube, sharing everything from scientific snapshots to educational...
Read on
AMBrosia Just Got Bigger: 126 Billion Compound Update Now Available
June 11, 2025 13:21 CEST
We are thrilled to announce a major update to the AMBrosia Chemical Space in collaboration with Ambinter! The state-of-the-art source for diverse drug-like scaffolds now boasts an incredible 126 billion of synthetically accessible compounds for drug discovery projects. What does the update feature? Expanded to an astounding 125,924,571,692 compounds (1.26...
Read on