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[VIRTUAL] Computational methods applied to the discovery of SARS-CoV-2 inhibitors targeting the Spike glycoprotein (Room: Virtual Room) - Aug 13, 2021 - Abstract #ACSFall2021ACS_Fall_3338; Complete models of the Spike inserted in viral membranes were simulated using the GaMD enhanced sampling method, in the absence or presence of several copies of the top four compounds obtained from VS (phthalocyanine, hypericin, TMC-647055 and quarfloxin), to evaluate the presence of other interaction sites on the Spike surface and the ability of these molecules to insert in membranes...In parallel, molecular docking and MD simulations were also performed to evaluate the capability of bovine Lactoferrin, a glycoprotein with known antiviral properties, as a potential competitive inhibitor of Spike binding to the host cell receptor ACE2. The promising computational results obtained are also supported by in vitro evidences and by a clinical trial showing that this protein exerts a significant protective role in COVID-19 patients.
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Trial completion, Trial primary completion date, Combination therapy: A Study to Evaluate the Safety, Tolerability, and Effectiveness of a 12-Week Combination Therapy of TMC647055 and TMC435 With and Without GSK23336805 With a Pharmacokinetic Enhancer With and Without Ribavirin in Patients Infected With Chronic Genotype 1 Hepatitis C Virus (clinicaltrials.gov) - Jan 26, 2015 P2a, N=90, Completed, Trial primary completion date: Jun 2014 --> Apr 2015 Active, not recruiting --> Completed | Trial primary completion date: Dec 2014 --> Sep 2014
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Enrollment closed, Combination therapy: A Study to Evaluate the Safety, Tolerability, and Effectiveness of a 12-Week Combination Therapy of TMC647055 and TMC435 With and Without GSK23336805 With a Pharmacokinetic Enhancer With and Without Ribavirin in Patients Infected With Chronic Genotype 1 Hepatitis C Virus (clinicaltrials.gov) - Jul 27, 2014 P2a, N=90, Active, not recruiting, Active, not recruiting --> Completed Recruiting --> Active, not recruiting
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Trial primary completion date, Combination therapy: A Study to Evaluate the Safety, Tolerability, and Effectiveness of a 12-Week Combination Therapy of TMC647055 and TMC435 With and Without GSK23336805 With a Pharmacokinetic Enhancer With and Without Ribavirin in Patients Infected With Chronic Genotype 1 Hepatitis C Virus (clinicaltrials.gov) - Jun 27, 2014 P2a, N=86, Recruiting, Recruiting --> Active, not recruiting Trial primary completion date: Aug 2015 --> Jan 2015
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Trial primary completion date, Combination therapy: A Study to Investigate the Safety, Tolerability, and Pharmacokinetics of TMC647055 in Combination With Ritonavir (Part 1) and the Co-administration of TMC435, TMC647055 and Ritonavir (Part 2) in Healthy Japanese Participants (clinicaltrials.gov) - May 14, 2014 P1, N=24, Completed, Trial primary completion date: Aug 2015 --> Jan 2015 Trial primary completion date: Jun 2014 --> Apr 2014
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Trial completion date, Combination therapy: A Study to Investigate the Safety, Tolerability, and Pharmacokinetics of TMC647055 in Combination With Ritonavir (Part 1) and the Co-administration of TMC435, TMC647055 and Ritonavir (Part 2) in Healthy Japanese Participants (clinicaltrials.gov) - May 14, 2014 P1, N=24, Completed, Trial primary completion date: Jun 2014 --> Apr 2014 Trial completion date: Jun 2014 --> Apr 2014
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Trial completion, Combination therapy: A Study to Investigate the Safety, Tolerability, and Pharmacokinetics of TMC647055 in Combination With Ritonavir (Part 1) and the Co-administration of TMC435, TMC647055 and Ritonavir (Part 2) in Healthy Japanese Participants (clinicaltrials.gov) - May 14, 2014 P1, N=24, Completed, Trial completion date: Jun 2014 --> Apr 2014 Recruiting --> Completed
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Enrollment change, Combination therapy: A Study to Investigate the Safety, Tolerability, and Pharmacokinetics of TMC647055 in Combination With Ritonavir (Part 1) and the Co-administration of TMC435, TMC647055 and Ritonavir (Part 2) in Healthy Japanese Participants (clinicaltrials.gov) - May 8, 2014 P1, N=24, Recruiting, Recruiting --> Completed N=48 --> 24
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Enrollment open, Combination therapy: A Study to Investigate the Safety, Tolerability, and Pharmacokinetics of TMC647055 in Combination With Ritonavir (Part 1) and the Co-administration of TMC435, TMC647055 and Ritonavir (Part 2) in Healthy Japanese Participants (clinicaltrials.gov) - Mar 27, 2014 P1, N=48, Recruiting, N=48 --> 24 Not yet recruiting --> Recruiting
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New P1 trial, Combination therapy: A Study to Investigate the Safety, Tolerability, and Pharmacokinetics of TMC647055 in Combination With Ritonavir (Part 1) and the Co-administration of TMC435, TMC647055 and Ritonavir (Part 2) in Healthy Japanese Participants (clinicaltrials.gov) - Feb 13, 2014 P1, N=48, Recruiting,
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