Article
Pharmacology & Pharmacy
Hua-Long Xiong, Jia-Li Cao, Chen-Guang Shen, Jian Ma, Xiao-Yang Qiao, Tian-Shu Shi, Sheng-Xiang Ge, Hui-Ming Ye, Jun Zhang, Quan Yuan, Tian-Ying Zhang, Ning-Shao Xia
Summary: The combination of Clomiphene (citrate), Vortioxetine, and Asenapine (hydrochloride) shows potent inhibitory effects against COVID-19, demonstrating potential as a treatment option.
FRONTIERS IN PHARMACOLOGY
(2021)
Article
Virology
Meehyun Ko, Sangeun Jeon, Wang-Shick Ryu, Seungtaek Kim
Summary: Drug repositioning is effective in controlling the current COVID-19 pandemic. Comparative analysis showed that nafamostat exhibits the most potent antiviral effect in human lung cells.
JOURNAL OF MEDICAL VIROLOGY
(2021)
Article
Medicine, Research & Experimental
Mahmoud S. Ahmed, Ayman B. Farag, Ian N. Boys, Ping Wang, Ivan Menendez-Montes, Ngoc Uyen Nhi Nguyen, Jennifer L. Eitson, Maikke B. Ohlson, Wenchun Fan, Matthew B. McDougal, Katrina Mar, Suwannee Thet, Francisco Ortiz, Soo Young Kim, Ashley Solmonson, Noelle S. Williams, Andrew Lemoff, Ralph J. DeBerardinis, John W. Schoggins, Hesham A. Sadek
Summary: The study aimed to identify therapeutic options for the COVID-19 pandemic through structure-based drug repurposing. FDA-approved drugs were screened for their inhibitory effects against SARS-CoV-2's main protease enzyme (Mpro) substrate-binding pocket. Five promising candidates, including atovaquone and mebendazole, demonstrated antiviral activity against SARS-CoV-2. Atovaquone was also found to potentially inhibit viral replication by targeting host purine metabolism.
BIOMEDICINE & PHARMACOTHERAPY
(2023)
Article
Biochemistry & Molecular Biology
Yuxi Lin, Ruochen Zang, Yanlong Ma, Zhuoya Wang, Li Li, Siyuan Ding, Rong Zhang, Zhiqiang Wei, Jinbo Yang, Xin Wang
Summary: Xanthohumol, a small molecule from hops, has shown potent inhibitory effects against various coronaviruses by targeting M-pro, making it a promising antiviral drug candidate.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Prateek Kumar, Taniya Bhardwaj, Ankur Kumar, Bhuvaneshwari R. Gehi, Shivani K. Kapuganti, Neha Garg, Gopal Nath, Rajanish Giri
Summary: This study investigates drug repurposing for the proteases of SARS-CoV-2, identifying potential inhibitors such as hyaluronic acid and acarbose. Molecular dynamics simulation confirms the stable binding of these drugs with the proteases, suggesting their potential for structure-based drug discovery against SARS-CoV-2.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Chenxiao Chen, Hao Liang, Yanchun Deng, Xiushi Yang, Xiaoming Li, Chunsheng Hou
Summary: Despite discrepancies in vaccine distribution and limited production capacity, the majority of the world's population remains unvaccinated. This study explored the potential of luteolin and other compounds to interact with the active site of the SARS-CoV-2 and SARS-CoV complex, suggesting their potential as inhibitors against coronavirus infections. Further research is needed to validate these findings.
Article
Multidisciplinary Sciences
Pei Sen, Teresa K. Yamana, Sasikiran Kandula, Marta Galanti, Jeffrey Shaman
Summary: The COVID-19 pandemic in the United States in 2020 was characterized by increasing ascertainment rates, high population susceptibility, and rising community infectious rates, with infection fatality rate decreasing towards the end of the year.
Article
Biochemistry & Molecular Biology
Periyannan Velu, Thirumalaisamy Rathinavel, Suresh Kumarasamy, Muhammad Nasir Iqbal, Hasnat Noor, Ayesha Ikram, Karthika Rajamanickam, Gnanendra Shanmugam
Summary: This study focused on genome analysis of an Indian nCoV-19 isolate and used homology modeling and molecular simulations to identify potential FDA approved drugs for treating COVID-19. The findings revealed that three specific drugs, cobicistat, remdesivir, and indinavir, showed stronger affinity with the viral target proteins from the Indian nCoV-19 isolate. These compounds could be used as a starting point for developing effective antiviral drugs against the deadly COVID-19 virus.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biology
Muhammad U. Anwaar, Farjad Adnan, Asma Abro, Rayyan A. Khan, Asad U. Rehman, Muhammad Osama, Christopher Rainville, Suresh Kumar, David E. Sterner, Saad Javed, Syed B. Jamal, Ahmadullah Baig, Muhammad R. Shabbir, Waseh Ahsan, Tauseef R. Butt, Muhammad Z. Assir
Summary: The ongoing pandemic of COVID-19 poses a serious threat to global public health. Drug repurposing is an efficient approach to find effective drugs against SARS-CoV-2. This study combines deep learning with molecular docking experiments to identify potential drugs from FDA-approved list that can be repurposed to treat COVID-19. The researchers used deep learning models to predict drug-protein binding affinity and performed docking simulations to validate the predictions. They have identified several promising FDA-approved drugs with high inhibitory potential against key SARS-CoV-2 viral proteins.
COMPUTERS IN BIOLOGY AND MEDICINE
(2022)
Article
Medicine, General & Internal
Seyed M. Moghadas, Pratha Sah, Affan Shoukat, Lauren Ancel Meyers, Alison P. Galvani
Summary: As of July 15, 2021, it was estimated that 62.0% of the U.S. population had immunity against COVID-19, with adults aged 65 and older having the highest immunity level and children under 12 having the lowest. However, this level of immunity may still be insufficient to fully contain outbreaks and return to pre-pandemic social behavior.
ANNALS OF INTERNAL MEDICINE
(2021)
Review
Chemistry, Medicinal
Barbara Longhini Gonzalez, Natalia Castelhano de Oliveira, Mariane Roberta Ritter, Fernanda Stumpf Tonin, Eduardo Borges Melo, Andreia Cristina Conegero Sanches, Fernando Fernandez-Llimos, Marcus Vinicius Petruco, Joao Carlos Palazzo de Mello, Danielly Chierrito, Daniela Cristina de Medeiros Araujo
Summary: This scoping review summarizes the current knowledge on the potential applicability of alkaloids for treating COVID-19. The findings suggest that certain alkaloids have strong binding abilities with multiple target proteins, inhibiting their function and reducing inflammatory markers. However, further high-quality research is needed to establish the effectiveness and safety of these alkaloids.
PHYTOTHERAPY RESEARCH
(2022)
Article
Chemistry, Organic
Manashjyoti Konwar, Diganta Sarma
Summary: COVID-19, caused by SARS-CoV-2, has infected over 29 million people worldwide with a high mortality rate. Research shows that a chymotripsin-like cystein protease (3CL(pro)) is crucial for the virus replication, and developing inhibitors for this enzyme could be a promising approach to combat the pandemic.
Article
Immunology
Shao Lin, Xinlei Deng, Ian Ryan, Kai Zhang, Wangjian Zhang, Ese Oghaghare, DeeDee Bennett Gayle, Benjamin Shaw
Summary: Age, gender, and race are associated with the risk of COVID-19 death among healthcare workers. Severe clinical indicators and specific symptoms can predict COVID-19-related deaths in healthcare workers.
EMERGING INFECTIOUS DISEASES
(2022)
Review
Pharmacology & Pharmacy
Anurag Singh, Vandana Gupta
Summary: The global outbreak of SARS-CoV-2 has triggered the urgent need for effective pharmacological interventions. Clinical trials and laboratory studies have shown promising results, but the virus's RNA nature and potential for mutation pose challenges for drug resistance. The review focuses on potential drug targets within the virus and the importance of developing a cocktail therapy to combat drug resistance.
PHARMACOLOGICAL REPORTS
(2021)
Article
Chemistry, Medicinal
Scott B. Biering, Erik Van Dis, Eddie Wehri, Livia H. Yamashiro, Xammy Nguyenla, Claire Dugast-Darzacq, Thomas G. W. Graham, Julien R. Stroumza, Guillaume R. Golovkine, Allison W. Roberts, Daniel M. Fines, Jessica N. Spradlin, Carl C. Ward, Teena Bajaj, Dustin Dovala, Ursula Schulze-Gamen, Ruchika Bajaj, Douglas M. Fox, Melanie Ott, Niren Murthy, Daniel K. Nomura, Julia Schaletzky, Sarah A. Stanley
Summary: The COVID-19 pandemic has posed a major global health threat, with an urgent need for safe and effective therapeutic options. By repurposing known clinical compounds, it is possible to rapidly identify drugs effective against SARS-CoV-2.
ACS INFECTIOUS DISEASES
(2021)
Review
Plant Sciences
Zhonglei Wang, Liyan Yang
Summary: Traditional Chinese herbal medicines have shown promising potential for treating COVID-19, including active ingredients, monomer preparations, crude extracts, and formulas, all of which have potential activity against SARS-CoV-2 and have shown significant effects both in vitro and in clinical practice. As a key component of the COVID-19 treatment regimen, Chinese herbal medicines have played an irreplaceable role in the treatment of SARS-CoV-2 infection.
JOURNAL OF ETHNOPHARMACOLOGY
(2021)
Review
Chemistry, Organic
Liyan Yang, Zhonglei Wang
Summary: Gelsemine, a unique indole alkaloid extracted from the medicinal plant Gelsemium elegans, has shown effectiveness in alleviating cognitive impairment and has potential for treating Alzheimer's disease. In the past few decades, numerous research groups have published interesting total syntheses of Gelsemine, including modern concepts such as organocatalytic reactions and biomimetic reactions.
CURRENT ORGANIC CHEMISTRY
(2022)
Letter
Virology
Zhonglei Wang, Liyan Yang
JOURNAL OF MEDICAL VIROLOGY
(2022)
Review
Virology
Zhonglei Wang, Liyan Yang
Summary: This article discusses the importance of broad-spectrum prodrugs against SARS-CoV-2 in combating the COVID-19 pandemic, emphasizing the urgent need for more effective antiviral drugs. It provides important guidance and hope for future treatments.
JOURNAL OF MEDICAL VIROLOGY
(2022)
Review
Chemistry, Multidisciplinary
Liyan Yang, Zhonglei Wang
Summary: Aflatoxins, produced by various Aspergillus fungi, are natural compounds with pentacyclic structures that pose a risk to human health. Over the past 55 years, there have been significant advancements in the total synthesis of aflatoxins, aiming to better understand their biological activity and presence in food industry samples.
FRONTIERS IN CHEMISTRY
(2021)
Editorial Material
Public, Environmental & Occupational Health
Zhonglei Wang, Liyan Yang
FRONTIERS IN PUBLIC HEALTH
(2022)
Review
Pharmacology & Pharmacy
Zhonglei Wang, Ning Wang, Liyan Yang, Xian-qing Song
Summary: This paper reviews the studies on natural products in the treatment of COVID-19, highlighting their potential applications in vitro and providing essential guidance for the development of anti-SARS-CoV-2 drugs.
FRONTIERS IN PHARMACOLOGY
(2022)
Review
Immunology
Zhonglei Wang, Liyan Yang, Xian-qing Song
Summary: This review summarizes the research related to the oral derivatives of GS-441524 and provides important insights into the controversial observations regarding the clinical efficacy. Oral GS-441524 derivatives could be considered as significant breakthroughs in treating COVID-19 due to their potential for maximizing clinical benefits.
FRONTIERS IN IMMUNOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Feifei Sun, Jinde Liu, Ali Tariq, Zhonglei Wang, Yongning Wu, Lin Li
Summary: This study aims to explore the potential targets and signaling pathways of cepharanthine for the treatment of COVID-19. The study identified 173 potential targets and 86 intersectional targets for cepharanthine against COVID-19. Gene Ontology enrichment analysis revealed that inflammatory, immune cell, and enzyme activities were critical terms for cepharanthine against COVID-19. Pathway enrichment analysis showed that five pathways associated with COVID-19 were the main signaling pathways for the treatment of COVID-19 via cepharanthine. Molecular docking and molecular dynamics simulations identified 6 core targets as potential targets for cepharanthine against COVID-19. In summary, the study suggests that cepharanthine may play an important role in the treatment of SARS-CoV-2 infection through its harmonious activity against SARS-CoV-2 pathways and multiple related targets. This article provides valuable insights for effectively addressing concerns of the western medical community.
ARABIAN JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Medicinal
Liyan Yang, Zhonglei Wang
Summary: The ongoing COVID-19 pandemic has highlighted the urgent need for potent prophylactic and therapeutic strategies against SARS-CoV-2. Small molecule inhibitors play a crucial role in the clinical treatment of SARS-CoV-2. China has made significant progress in the development of anti-SARS-CoV-2 drugs, but there is still limited knowledge regarding their pharmacological activity, antiviral mechanisms, and clinical efficacy. This review discusses the development of small molecule anti-SARS-CoV-2 drugs in China and summarizes their pharmacological activity, potential mechanisms of action, clinical trials and use, and important milestones in their discovery.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Review
Nutrition & Dietetics
Zhonglei Wang, Xian-qing Song, Wenjing Xu, Shizeng Lei, Hao Zhang, Liyan Yang
Summary: The COVID-19 pandemic has led to collaborative efforts in academia and the industry to develop therapies and vaccines targeting SARS-CoV-2. Natural products, particularly dietary polyphenols, have gained renewed interest as an additional therapeutic strategy. In vitro and in vivo studies have shown the potential of polyphenols such as curcumin, resveratrol, and gossypol as inhibitors against SARS-CoV-2 and its variants. Strategies such as nanotechnology, lead optimization, combination therapies, and broad-spectrum activities have also been highlighted to support effective drug development for long-term pandemic management and control.
Review
Nutrition & Dietetics
Zhonglei Wang, Liyan Yang
Summary: The exploration of non-toxic and cost-effective dietary components, such as epigallocatechin 3-gallate and myricetin, for health improvement and disease treatment has gained significant attention. The recent COVID-19 pandemic has provided a unique opportunity for investigating and identifying dietary components capable of treating viral infections and addressing public health emergencies. Dietary components show potential for drug development against SARS-CoV-2 due to their safety, antiviral activities, and organ-protective capacity.
Article
Chemistry, Multidisciplinary
Zhonglei Wang, Liyan Yang, Yake Li, Shaohua Song, Juan Qu, Rui He, Shanshan Ren, Peiwei Gong
Summary: A novel nano-system has been developed for the treatment of ALK/EGFR dual-mutant NSCLC. This nano-system addresses the concerns of low drug loading and inefficient drug permeability, providing a foundation for the development of GSH-sensitive nanoparticles for improved drug delivery.
NEW JOURNAL OF CHEMISTRY
(2022)
Review
Biochemistry & Molecular Biology
Zhonglei Wang, Liyan Yang, Xian-En Zhao
Summary: This study focuses on utilizing X-ray crystal structures and computational analysis to discover and optimize anti-SARS-CoV-2 drugs, with a focus on the interaction of newly identified small-molecule inhibitors with drug targets.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL
(2021)