4.7 Article

Discovery of 9,10-dihydrophenanthrene derivatives as SARS-CoV-2 3CLpro inhibitors for COVID-19

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Medicinal

Targeting SARS-CoV-2 Proteases and Polymerase for COVID-19 Treatment: State of the Art and Future Opportunities

Rolando Cannalire et al.

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 Virology

Genomic and proteomic mutation landscapes of SARS-CoV-2

Christian Luke D. C. Badua et al.

Summary: The study surveyed and evaluated the genome and proteome of SARS-CoV-2, revealing differences in mutation density and types across different geographical areas and proteins. The findings suggest that variants may have an impact on virus transmission and treatment effectiveness, highlighting the importance of considering the virus genotype and phenotype in specific populations when developing diagnostic tools and treatment options.

JOURNAL OF MEDICAL VIROLOGY (2021)

Article Computer Science, Artificial Intelligence

Forecasting fully vaccinated people against COVID-19 and examining future vaccination rate for herd immunity in the US, Asia, Europe, Africa, South America, and the World

Pinar Cihan

Summary: COVID-19 vaccines have been widely used, but efforts are still needed to achieve herd immunity, as ARIMA model predictions show that the number of fully vaccinated individuals in various regions is still relatively low, and vaccination rates need to be increased to achieve herd immunity.

APPLIED SOFT COMPUTING (2021)

Article Chemistry, Medicinal

Design, synthesis and biological evaluation of indanone-chalcone hybrids as potent and selective hCES2A inhibitors

Peng-Chao Huo et al.

Summary: In this study, a series of indanone-chalcone hybrids were designed and synthesized to find potent and highly selective hCES2A inhibitors. Among them, B7 showed the most potent inhibition on hCES2A and excellent specificity. These compounds are potential candidates for the development of novel anti-diarrhea agents to ameliorate irinotecan-induced intestinal toxicity.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2021)

Article Chemistry, Medicinal

10 years into the resurgence of covalent drugs

Elena De Vita

Summary: In the first decade of targeted covalent inhibition, scientists have made significant progress in reversing the previous trend that hindered the use of covalent inhibition in drug development, especially in the field of kinase inhibitors. The successful entry of KRAS(G12C) covalent inhibitors into clinical trials in 2019 has sparked great interest in the future potential of this area of drug discovery. Despite the achievements, there are still many unanswered questions and areas for improvement in terms of safety and effectiveness.

FUTURE MEDICINAL CHEMISTRY (2021)

Review Chemistry, Medicinal

The race to treat COVID-19: Potential therapeutic agents for the prevention and treatment of SARS-CoV-2

Shagufta et al.

Summary: The sudden emergence of the COVID-19 pandemic has had a severe impact on global human life, highlighting the urgent need for effective therapeutic treatments. Collaborative research among scientists worldwide is crucial to finding the most promising approaches to combat the pandemic. Promising molecules with inhibitory activities have been identified, offering new directions for disease control and drug development efforts.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2021)

Article Multidisciplinary Sciences

SARS-CoV-2 M-pro inhibitors with antiviral activity in a transgenic mouse model

Jingxin Qiao et al.

Summary: The study designed and synthesized 32 new M-pro inhibitors containing bicycloproline, which showed inhibitory effects on SARS-CoV-2. Compounds MI-09 and MI-30 exhibited excellent antiviral activity in cell-based assays and significantly reduced lung viral loads and lung lesions in a transgenic mouse model of SARS-CoV-2 infection. Both also displayed good pharmacokinetic properties and safety in rats.

SCIENCE (2021)

Review Virology

COVID-19: A Review on the Novel Coronavirus Disease Evolution, Transmission, Detection, Control and Prevention

Anshika Sharma et al.

Summary: Coronaviruses, including the recent SARS-CoV-2, have caused major outbreaks since 2002, with the current COVID-19 pandemic infecting millions worldwide and posing a serious global health threat. The virus is constantly evolving and spreading through asymptomatic carriers, increasing the risk of transmission and highlighting the urgent need for effective control and prevention strategies.

VIRUSES-BASEL (2021)

Article Chemistry, Multidisciplinary

Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations

Chun-Hui Zhang et al.

Summary: Starting from known drugs, the study redesigned perampanel into potent noncovalent inhibitors of SARS-CoV-2 main protease with ca. 20 nM IC50 values. Free-energy perturbation calculations and high-resolution X-ray crystal structures guided the design efforts and rapid development of effective analogues. Cell-based antiviral assays confirmed the potential of the compounds for COVID-19 treatment, highlighting the power of computational chemistry in drug discovery.

ACS CENTRAL SCIENCE (2021)

Review Biochemistry & Molecular Biology

Potential drug targets of SARS-CoV-2: From genomics to therapeutics

Anas Shamsi et al.

Summary: The emergence of SARS-CoV-2 has posed a global threat due to the continuous rise in COVID-19 cases. The complex mechanism of the virus pathogenesis hinders the development of effective therapeutics, but in-depth analysis of the genome architecture and pathogenesis may lead to potential treatment options.

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2021)

Article Biochemistry & Molecular Biology

Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum

Chang Liu et al.

Summary: Recent study examined the neutralizing ability of monoclonal antibodies, convalescent and vaccine sera against the Indian variants B.1.617.1 and B.1.617.2, showing that the neutralization of these variants is reduced compared to the ancestral strains, without widespread antibody escape as seen in other variants like B.1.351.
Review Biochemistry & Molecular Biology

The origins and potential future of SARS-CoV-2 variants of concern in the evolving COVID-19 pandemic

Sarah P. Otto et al.

Summary: After a year into the COVID-19 pandemic, attention has shifted to the emergence and spread of variants of concern (VOCs) of SARS-CoV-2. These variants have shown detrimental effects on virus transmission and severity, prompting global efforts to understand their impact on disease control and public health interventions. Efforts are being made to explore the evolutionary processes involved in the emergence of new variants and to minimize their impact on the ongoing pandemic.

CURRENT BIOLOGY (2021)

Article Chemistry, Medicinal

Discovery of naturally occurring inhibitors against SARS-CoV-2 3CLpro from Ginkgo biloba leaves via large-scale screening

Yuan Xiong et al.

Summary: This study aimed to discover naturally occurring SARS-CoV-2 3CL(pro) inhibitors from herbal constituents, with Ginkgo biloba leaves extract (GBLE) identified as the most potent inhibitor. The major constituents in GBLE exhibited strong SARS-CoV-2 3CL(pro) inhibition activities, offering promising compounds for developing novel anti-COVID-19 medications.

FITOTERAPIA (2021)

Article Biochemistry & Molecular Biology

Flavonoids in Ampelopsis grossedentata as covalent inhibitors of SARS-CoV-2 3CLpro: Inhibition potentials, covalent binding sites and inhibitory mechanisms

Yuan Xiong et al.

Summary: The study demonstrated that flavonoids in Ampelopsis grossedentata extract strongly and time-dependently inhibit SARS-CoV-2 3C-like protease. Flavonoids such as myricetin and dihydromyricetin were identified as key constituents with significant inhibitory effects on SARS-CoV-2 3C-like protease.

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2021)

Article Chemistry, Medicinal

Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies

Arun K. Ghosh et al.

Summary: This study investigated the synthesis, structure-activity relationship, enzyme inhibition, antiviral activity, and X-ray crystallographic studies of 5-chloropyridinyl indole carboxylate derivatives as potent SARS-CoV-2 chymotrypsin-like protease inhibitors. Compound 1 demonstrated strong inhibitory and antiviral activity, comparable to Remdesivir. Compound 7d showed the most potent enzyme inhibitory activity. X-ray crystal structures of compounds 2, 7b, and 9d bound to SARS-CoV 3CLpro were determined to provide molecular insight into their binding properties.

JOURNAL OF MEDICINAL CHEMISTRY (2021)

News Item Multidisciplinary Sciences

HOW THE CORONAVIRUS INFECTS OUR CELLS

Megan Scudellari

NATURE (2021)

Letter Biochemistry & Molecular Biology

SARS-CoV-2 variants of concern are emerging in India

Jasdeep Singh et al.

NATURE MEDICINE (2021)

Article Biochemistry & Molecular Biology

Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease

Maya G. Deshmukh et al.

Summary: This study optimized an existing FDA-approved chemical scaffold, perampanel, to noncovalently bind and inhibit M-pro, achieving IC(50)s in the low-nanomolar range and EC(50)s in the low-micromolar range. The research presented nine crystal structures of Mpro bound to a series of perampanel analogs, providing detailed structural insights into their mechanism of action and structure-activity relationship. These insights reveal strategies for rational inhibitor design efforts in the context of active-site flexibility and potential resistance mechanisms.

STRUCTURE (2021)

Article Multidisciplinary Sciences

Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease

Haixia Su et al.

Summary: The naturally occurring flavonoid myricetin is identified as a non-peptidomimetic and covalent inhibitor of SARS-CoV-2 3CL protease. Crystal structures reveal the pyrogallol group modifies the catalytic cysteine through covalent binding. This study provides insights into the mechanism of action of pyrogallol-containing natural products and offers a template for designing non-peptidomimetic covalent inhibitors against 3CL proteases.

NATURE COMMUNICATIONS (2021)

Review Medicine, General & Internal

Original Hosts, Clinical Features, Transmission Routes, and Vaccine Development for Coronavirus Disease (COVID-19)

Ting Wu et al.

Summary: The COVID-19 pandemic caused by SARS-CoV-2 has raised global public concern. It spreads mainly through droplet transmission and close contact, with other transmission routes still being investigated. Cases are primarily found in communities, households, and healthcare settings, with environmental contamination playing a significant role.

FRONTIERS IN MEDICINE (2021)

Review Biochemistry & Molecular Biology

Current advances in the development of SARS-CoV-2 vaccines

Annoor Awadasseid et al.

Summary: COVID-19 caused by SARS-CoV-2 has become a global pandemic, with China being at the forefront of vaccine development. The last inactivated vaccine international clinical trial has been launched in the UAE, showing promising progress in creating efficacious and safe vaccines against SARS-CoV-2.

INTERNATIONAL JOURNAL OF BIOLOGICAL SCIENCES (2021)

Article Multidisciplinary Sciences

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

Zhenming Jin et al.

NATURE (2020)

Review Chemistry, Medicinal

The development of Coronavirus 3C-Like protease (3CLpro) inhibitors from 2010 to 2020

Yuzhi Liu et al.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2020)

Review Microbiology

Progress in Developing Inhibitors of SARS-CoV-2 3C-Like Protease

Qingxin Li et al.

MICROORGANISMS (2020)

Article Biochemistry & Molecular Biology

Inhibition of human carboxylesterases by magnolol: Kinetic analyses and mechanism

Yun-Qing Song et al.

CHEMICO-BIOLOGICAL INTERACTIONS (2019)

Article Biochemistry & Molecular Biology

Peptide chemistry toolbox - Transforming natural peptides into peptide therapeutics

Milos Erak et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2018)

Article Chemistry, Organic

α-Halo carbonyls enable meta selective primary, secondary and tertiary C-H alkylations by ruthenium catalysis

Andrew J. Paterson et al.

ORGANIC & BIOMOLECULAR CHEMISTRY (2017)

Article Materials Science, Multidisciplinary

Modular synthesis of simple cycloruthenated complexes with state-of-the-art performance in p-type DSCs

Felix Brunner et al.

JOURNAL OF MATERIALS CHEMISTRY C (2016)