Article
Medicine, General & Internal
Peter Horby, Wei Shen Lim, Jonathan R. Emberson, Marion Mafham, Jennifer L. Bell, Louise Linsell, Natalie Staplin, Christopher Brightling, Andrew Ustianowski, Einas Elmahi, Benjamin Prudon, Christopher Green, Timothy Felton, David Chadwick, Kanchan Rege, Christopher Fegan, Lucy C. Chappell, Saul N. Faust, Thomas Jaki, Katie Jeffery, Alan Montgomery, Kathryn Rowan, Edmund Juszczak, J. Kenneth Baillie, Richard Haynes, Martin J. Landray
Summary: In patients hospitalized with Covid-19, the use of dexamethasone resulted in lower 28-day mortality among those who were receiving either invasive mechanical ventilation or oxygen alone at randomization but not among those receiving no respiratory support.
NEW ENGLAND JOURNAL OF MEDICINE
(2021)
Review
Pharmacology & Pharmacy
Thales Kronenberger, Stefan A. Laufer, Thanigaimalai Pillaiyar
Summary: This article discusses the rationale for inhibitors targeting SARS-CoV-2 Mpro. Small molecules and peptidomimetic inhibitors are two types of inhibitors with different modes of action. Novel inhibitors discovered during the COVID-19 pandemic are highlighted, focusing on their binding modes and structures.
DRUG DISCOVERY TODAY
(2023)
Article
Chemistry, Physical
Ashkan Shekaari, Mahmoud Jafari
Summary: This study investigates the activity and internal dynamics of COVID-19 main protease through molecular dynamics simulations, revealing significant anharmonicity and overall structural stiffness in the protease.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Medicinal
Zhengnan Shen, Kiira Ratia, Laura Cooper, Deyu Kong, Hyun Lee, Youngjin Kwon, Yangfeng Li, Saad Alqarni, Fei Huang, Oleksii Dubrovskyi, Lijun Rong, Gregory R. J. Thatcher, Rui Xiong
Summary: Researchers have discovered a new antiviral drug that targets the SARS-CoV-2 papain-like protease (PLpro) to inhibit viral replication and improve antiviral potency in human cells.
JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Review
Virology
Varada Anirudhan, Hyun Lee, Han Cheng, Laura Cooper, Lijun Rong
Summary: The review provides information on potential treatment strategies for COVID-19 that target the essential proteins of the virus, specifically 3CL(pro) and PLpro, which are key in inhibiting viral replication and may offer insights from previous experience with SARS-CoV.
JOURNAL OF MEDICAL VIROLOGY
(2021)
Review
Biochemistry & Molecular Biology
Lukas Wettstein, Frank Kirchhoff, Jan Muench
Summary: TMPRSS2 is a crucial protease with widespread expression in various organs, playing a role in the entry processes of different respiratory viruses. Inhibiting TMPRSS2 activity is a promising strategy for blocking viral infections.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Infectious Diseases
Leonardo Calza, Isabella Bon, Marina Tadolini, Marco Borderi, Vincenzo Colangeli, Lorenzo Badia, Gabriella Verucchi, Giada Rossini, Caterina Vocale, Paolo Gaibani, Pierluigi Viale, Luciano Attard
Summary: The study reported a case series of 26 HIV-infected patients with COVID-19 diagnosed at S.Orsola Hospital in Italy. Among them, 19 were male, with a median age of 54 years, and 73% had one or more comorbidities. Only 5 patients with interstitial pneumonia were hospitalized, and there were no ICU admissions or deaths.
Article
Biochemistry & Molecular Biology
Pushyaraga P. Venugopal, Debashree Chakraborty
Summary: This study investigates the potential of drugs used for asthma and cancer/inflammatory disorders as repurposing drugs against the novel coronavirus protease. Through virtual screening and molecular dynamics simulation, four top-scored molecules were identified with lower binding energy. The findings provide insights for designing more potent protease inhibitors against the novel coronavirus.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Multidisciplinary Sciences
Dafydd R. Owen, Charlotte M. N. Allerton, Annaliesa S. Anderson, Lisa Aschenbrenner, Melissa Avery, Simon Berritt, Britton Boras, Rhonda D. Cardin, Anthony Carlo, Karen J. Coffman, Alyssa Dantonio, Li Di, Heather Eng, RoseAnn Ferre, Ketan S. Gajiwala, Scott A. Gibson, Samantha E. Greasley, Brett L. Hurst, Eugene P. Kadar, Amit S. Kalgutkar, Jack C. Lee, Jisun Lee, Wei Liu, Stephen W. Mason, Stephen Noell, Jonathan J. Novak, R. Scott Obach, Kevin Ogilvie, Nandini C. Patel, Martin Pettersson, Devendra K. Rai, Matthew R. Reese, Matthew F. Sammons, Jean G. Sathish, Ravi Shankar P. Singh, Claire M. Steppan, Al E. Stewart, Jamison B. Tuttle, Lawrence Updyke, Patrick R. Verhoest, Liuqing Wei, Qingyi Yang, Yuao Zhu
Summary: PF-07321332, an orally bioavailable SARS-CoV-2 main protease inhibitor, has been discovered with in vitro pan-human coronavirus antiviral activity and excellent off-target selectivity and in vivo safety profiles. This new drug has shown promise in countering the threat of COVID-19 with its oral activity and safety in clinical trials.
Article
Medicine, General & Internal
Titilayo Omolara Johnson, Abayomi Emmanuel Adegboyega, Oluwafemi Adeleke Ojo, Amina Jega Yusuf, Opeyemi Iwaloye, Chinenye Jane Ugwah-Oguejiofor, Rita Onyekachukwu Asomadu, Ifeoma Felicia Chukwuma, Stephen Adakole Ejembi, Emmanuel Ike Ugwuja, Saqer S. Alotaibi, Sarah M. Albogami, Gaber El-Saber Batiha, Bodour S. Rajab, Carlos Adam Conte-Junior
Summary: This study identified potential inhibitors of the SARS-CoV-2 main protease from 168 bioactive compounds of Artemisia annua using computational techniques. Ramnocitrin, isokaempferide, and kaempferol showed the highest docking scores and interacted with important active site amino acid residues. These compounds demonstrated good stability and druglike properties.
FRONTIERS IN MEDICINE
(2022)
Article
Biochemistry & Molecular Biology
Anuj Kumar, Gourav Choudhir, Sanjeev Kumar Shukla, Mansi Sharma, Pankaj Tyagi, Arvind Bhushan, Madhu Rathore
Summary: The study identifies three natural metabolites, namely ursolic acid, carvacrol, and oleanolic acid, as potential inhibitors of the main protease (M-pro) of COVID-19. These molecules have stable and favorable energies, passing absorption and metabolism criteria, suggesting they could regulate M-protein function and control viral replication.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Biochemistry & Molecular Biology
Brandon Havranek, Shahidul M. Islam
Summary: In this study, several compounds with potential anti-COVID-19 properties have been identified, showing high binding affinity with the main protease of the virus. These compounds may inhibit viral replication effectively.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Chemistry, Medicinal
Rolando Cannalire, Carmen Cerchia, Andrea R. Beccari, Francesco Saverio Di Leva, Vincenzo Summa
Summary: This article discusses the urgent need to identify drugs for treating COVID-19 and other coronavirus diseases. Different strategies targeting the virus or host cells are being investigated. The article provides a comprehensive comparative analysis of SARS-CoV-2 proteases and RdRp with other coronavirus counterparts, highlighting the most promising inhibitors reported so far and potential strategies for further development.
JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Mohit Motiwale, Neetu Singh Yadav, Sushil Kumar, Tushar Kushwaha, Gourav Choudhir, Supriya Sharma, Pradeep Kumar Singour
Summary: In this study, computer-aided drug design techniques were used to identify potential inhibitors with anti-viral activity against SARS-CoV-2. The results showed that N-substituted isatin derivatives and pyrazolone compounds could be effective inhibitors. However, further experimental investigation and validation are needed to determine their suitability for clinical trials.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Infectious Diseases
Vicente Soriano, Pilar Ganado-Pinilla, Miguel Sanchez-Santos, Felix Gomez-Gallego, Pablo Barreiro, Carmen de Mendoza, Octavio Corral
Summary: The study conducted in Madrid, Spain in the second half of 2020 found that the first wave of the COVID-19 pandemic had a higher infection rate, while the second wave had more cases of reinfection with less severe clinical symptoms. The overall seroprevalence of SARS-CoV-2 antibodies in Madrid at the end of 2020 was around 20%.
INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES
(2021)