Article
Biochemistry & Molecular Biology
Zahoor Ahmad Bhat, Dheeraj Chitara, Jawed Iqbal, B. S. Sanjeev, Arumugam Madhumalar
Summary: The combination of Elbasvir, Glecaprevir, and Ritonavir has been identified as a potential candidate for further experimental drug testing and pharmacophore design for M-pro, according to a study utilizing docking and extensive molecular dynamics simulations. The conformational flexibility and future mutation proneness of M-pro pose significant challenges for evaluating the efficacy of antivirals. Selecting suitable drugs for catalytic and allosteric pockets is crucial for combination therapy.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Sheng Guo, Hang Xie, Yu Lei, Bin Liu, Li Zhang, Yechun Xu, Zhili Zuo
Summary: SARS-CoV-2, the pathogen responsible for the 2020 global COVID-19 outbreak, has seen progress in vaccine and antiviral drug development. Two active main protease inhibitors were discovered through docking-based virtual screening and bioassay, with potential implications for future drug design. The findings in this work shed light on the interactions between main protease and inhibitors, offering insight into post-infection treatment options.
BIOORGANIC CHEMISTRY
(2021)
Article
Pharmacology & Pharmacy
Shengnan Yin, Shuang Mei, Zhiqin Li, Zhen Xu, Yuting Wu, Xiujuan Chen, Dongmei Liu, Miao-Miao Niu, Jindong Li
Summary: This study identified a novel non-covalent cyclic peptide, MN-2, which showed high affinity to both the main protease (Mpro) and human neuropilin-1 (NRP1) of SARS-CoV-2. MN-2 demonstrated potent antiviral activity and significant inhibition against the Omicron variant, making it a promising candidate in combating Omicron.
FRONTIERS IN PHARMACOLOGY
(2022)
Article
Pharmacology & Pharmacy
Laura Goracci, Arianna Loregian, Beatrice Mercorelli, Jenny Desantis, Marta Celegato, Alessandro Bazzacco, Lydia Siragusa, Paolo Benedetti, Michela Eleuteri, Federico Croci, Gabriele Cruciani
Summary: Two years after its emergence, SARS-CoV-2 still poses a serious global threat to human health. In this study, researchers used a virtual screening platform to identify new chemical scaffolds with potential as inhibitors of the SARS-CoV-2 main protease (M-pro). Several of these compounds exhibited antiviral activity against SARS-CoV-2 and other human coronaviruses in different cell lines. Time-of-addition experiments showed that these compounds had an antiviral effect during the viral replication cycle. By optimizing one of the hit compounds, the researchers obtained two potent SARS-CoV-2 inhibitors with increased activity against M-pro in vitro and in infected cells. This study significantly expands the chemical diversity of SARS-CoV-2 M-pro inhibitors and provides new scaffolds for pan-coronavirus antiviral drug development.
ANTIVIRAL RESEARCH
(2022)
Article
Cell Biology
Ting Xiao, Mengqi Cui, Caijuan Zheng, Peipei Zhang, Shanfa Ren, Jiali Bao, Dandi Gao, Ronghao Sun, Ming Wang, Jianping Lin, Liang Zhang, Mingjiang Li, Dongmei Li, Honggang Zhou, Cheng Yang
Summary: The study found that (-)-gallocatechin gallate and baicalein have potential inhibitory activity against SARS-CoV-2 M-pro and a certain relieving effect on cytokine storms. These compounds significantly alleviated sepsis symptoms in a mouse model and reduced levels of inflammatory factors.
Article
Multidisciplinary Sciences
Zengchao Sun, Lu Wang, Xiyang Li, Chengpeng Fan, Jianfeng Xu, Zhenzhong Shi, Huarui Qiao, Zhongyun Lan, Xin Zhang, Lingyun Li, Xin Zhou, Yong Geng
Summary: This study reveals the structure and function of the coronavirus M-proteinase, showing that it forms an active state through a folding process, providing a new approach for developing antiviral drugs against coronaviruses.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Review
Biochemistry & Molecular Biology
Ridhima Kaul, Pradipta Paul, Sanjay Kumar, Dietrich Buesselberg, Vivek Dhar Dwivedi, Ali Chaari
Summary: This review summarizes the activities and structure-activity relationships of flavonoids in combating SARS-CoV-2 from in vitro studies to clinical research. The study found that flavonoids such as quercetin and myricetin derivatives, baicalein, baicalin, EGCG, and tannic acid show promising activities against SARS-CoV-2.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Maryam Sadat Moezzi
Summary: Computational drug discovery plays an essential role in finding potential therapeutic agents for the current pandemic caused by the new coronavirus. This study found that main flavonoids of sage have strong interactions with the novel coronavirus main protease, indicating their potential in counteracting the replication of SARS-CoV-2. Further analysis showed that these flavonoids have appropriate pharmacokinetic properties and no toxicity.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Pharmacology & Pharmacy
Renhui Dai, Hongwei Gao, Ruiling Su
Summary: In this study, a pharmacophore-based drug design technology was used to identify 257 potential compounds from drug databases as M-pro inhibitors. ENA482732 was found to be the best compound with promising inhibitory activity against M-pro. These findings provide a theoretical foundation for future research on M-pro inhibitors against SARS-CoV-2.
FRONTIERS IN PHARMACOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Jing Liang, Mengzhu Zheng, Wei Xu, Yongkang Chen, Piyu Tang, Guoyi Wu, Peng Zou, Hua Li, Lixia Chen
Summary: This study discovered Acriflavine and Proflavine Hemisulfate as inhibitors of Mpro, showing good inhibitory activity against the SARS-CoV-2 virus.
BIOORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Amit Singh, Abha Mishra
Summary: Leucoefdin, an important component found in fruits like banana and raspberry, was found to have a strong binding affinity for the M(Pro) protease of SARS-CoV-2, showing potential as a lead compound in drug discovery and development against the virus. Docking and simulation studies revealed specific interactions with the active site of M(Pro) and stable binding energies, indicating its promise as a therapeutic agent.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Microbiology
Bao-Xue Quan, Huiping Shuai, An-Jie Xia, Yuxin Hou, Rui Zeng, Xin-Lei Liu, Gui-Feng Lin, Jing-Xin Qiao, Wen-Pei Li, Fa-Lu Wang, Kai Wang, Ren-Jie Zhou, Terrence Tsz-Tai Yuen, Ming-Xin Chen, Chaemin Yoon, Ming Wu, Shi-Yu Zhang, Chong Huang, Yi-Fei Wang, Wei Yang, Chenyu Tian, Wei-Min Li, Yu-Quan Wei, Kwok-Yung Yuen, Jasper Fuk-Woo Chan, Jian Lei, Hin Chu, Shengyong Yang
Summary: This study reports a promising lead compound, Y180, for oral drug development against SARS-CoV-2. Y180, an inhibitor of the main protease (Mpro), demonstrated therapeutic efficacy against wild-type SARS-CoV-2 and its variants, including the Omicron variant, after oral administration. It improved survival in a humanized mouse model.
NATURE MICROBIOLOGY
(2022)
Article
Microbiology
Jonathan T. Lee, Qingyi Yang, Alexey Gribenko, B. Scott Perrin, Yuao Zhu, Rhonda Cardin, Paul A. Liberator, Annaliesa S. Anderson, Li Hao
Summary: This study analyzed the mutational landscape of SARS-CoV-2 M-pro and found that mutations related to nirmatrelvir binding and protease functionality were rare. The M-pro enzyme remained highly conserved relative to the spike protein. This research provides a robust analysis framework for monitoring potential antiviral resistance.
Article
Pharmacology & Pharmacy
Zhen Xu, Yunting Zou, Xi Gao, Miao-Miao Niu, Jindong Li, Lu Xue, Su Jiang
Summary: Four novel RBD/Mpro dual-targeting peptides with high binding affinities have been discovered, showing potential in inhibiting SARS-CoV-2 pseudovirus infection.
FRONTIERS IN PHARMACOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Lara Alzyoud, Radwa E. Mahgoub, Feda E. Mohamed, Bassam R. Ali, Juliana Ferreira, Wael M. Rabeh, Noor Atatreh, Mohammad A. Ghattas
Summary: With structure-based virtual screening, a compound that can inhibit M-pro enzyme was discovered in this study. The compound showed good inhibitory effects in biological testing. Molecular dynamics simulations revealed the stable binding mode of the compound to the M-pro enzyme, forming interactions with specific residues at certain sites. The results suggest that drug-like allosteric inhibitors could be a promising additional weapon in combating the current pandemic and diseases caused by other coronaviruses.
CHEMISTRY & BIODIVERSITY
(2023)
Article
Chemistry, Medicinal
Cleidy Osorio-Mogollon, Gustavo E. Olivos-Ramirez, Kewin Otazu, Manuel E. Chenet-Zuta, Georcki Ropon-Palacios, Cinthia das Dores Aguiar, Ihosvany Camps, Gabriel M. Jimenez-Avalos, Eduardo Apari-Cossio, Natalia E. Torres E. Moreira, Reyna G. Cardenas-Cardenas
Summary: The RNA polymerase (RdRp) in SARS-CoV-2 is the most important protein responsible for viral transcription and replication. By using computational strategies, potential inhibitors of RdRp, such as TCMDC-134153 and TCMDC-135052, were identified with significant interactions with the catalytic site of the protein.
LETTERS IN DRUG DESIGN & DISCOVERY
(2023)
Article
Immunology
Luis F. Soto, Ana C. Romani, Gabriel Jimenez-Avalos, Yshoner Silva, Carla M. Ordinola-Ramirez, Rainer M. Lopez Lapa, David Requena
Summary: This study computationally screened the whole proteome of Clostridium perfringens and identified highly immunogenic proteins, domains, and epitopes. They found potential recombinant vaccine candidates, a potential sub-unit vaccine, and designed a multi-epitope protein. These findings are important for the development of safe and effective vaccines against C. perfringens infection.
FRONTIERS IN IMMUNOLOGY
(2022)
Article
Microbiology
Manolo Fernandez-Diaz, Angela Montalvan-Avalos, Gisela Isasi-Rivas, Doris Villanueva-Perez, Stefany Quinones-Garcia, Luis Tataje-Lavanda, Dora Rios-Matos, Milagros Lulo-Vargas, Manolo Fernandez-Sanchez, Luis A. Guevara-Sarmiento, Mirko Zimic, Aldo Rojas-Neyra, Katherine Calderon
Summary: This study presents the draft genome sequence of a new Newcastle disease virus (NDV) strain (VFAR-136) isolated from a fighting cock in the south of Peru. This strain represents a new report of NDV genotype VII circulating in Peru.
MICROBIOLOGY RESOURCE ANNOUNCEMENTS
(2023)
Review
Environmental Sciences
Romulo E. Loayza-Aguilar, Yolanda P. Huamancondor-Paz, Guillermo B. Saldana-Rojas, Gustavo E. Olivos-Ramirez
Summary: The development of industrial mariculture in Peruvian coasts will continue to grow but its monospecific nature has negative impacts on the ecosystem, biodiversity, and fishery resources. To address these issues, a sustainable production model called Integrated Multi-Trophic Aquaculture (IMTA) is proposed for Argopecten purpuratus cultivation in Samanco Bay. This model aims to achieve greater efficiency, competitiveness, and profitability while ensuring environmental balance. The adoption of this model can be adapted to other scenarios, and collaboration between academia, private companies, and relevant authorities is crucial in this process.
FRONTIERS IN MARINE SCIENCE
(2023)
Article
Microbiology
Manolo Fernandez-Diaz, Doris Villanueva-Perez, Luis Tataje-Lavanda, Angela Montalvan-Avalos, Gisela Isasi-Rivas, Milagros Lulo-Vargas, Manolo Fernandez-Sanchez
Summary: Surveillance allows us to identify and monitor potentially zoonotic strains. A tracheal swab taken from a pelican on a Peruvian beach tested positive for H5N1 (clade 2.3.4.4b) using the Oxford Nanopore's MinION platform. The near-complete genome sequence of strain VFAR-140 will provide insights into avian influenza epidemiology and spread.
MICROBIOLOGY RESOURCE ANNOUNCEMENTS
(2023)
Article
Veterinary Sciences
Luis Tataje-Lavanda, Edith Malaga, Manuela Verastegui, Egma Mayta Huatuco, Eliana Icochea, Manolo Fernandez-Diaz, Mirko Zimic
Summary: Our study used an artificial intelligence algorithm to predict NDV peptides with high affinity to chicken MHC-I complex. We selected conserved peptides across different NDV genotypes and absent in the chicken proteome. Five peptides with the highest affinities for L, HN, and F proteins of NDV were synthesized and evaluated for their ability to elicit cell-mediated immunity in-vitro.
BMC VETERINARY RESEARCH
(2023)
Article
Parasitology
Gabriel Jimenez-Avalos, Alina Soto-Obando, Maria Solis, Robert H. Gilman, Vitaliano Cama, Armando E. Gonzalez, Hector H. Garcia, Patricia Sheen, David Requena, Mirko Zimic, Cysticercosis Working Grp Peru
Summary: This study identified a novel set of 31 non-synonymous mutations that differentiate the main T. solium genotypes, distributed across the genomes of the African-American genotype. Furthermore, the analysis suggested a stratification of the African-American genotypes into an East African and a West African sublineage.
PARASITES & VECTORS
(2023)
Article
Microbiology
Luis Tataje-Lavanda, Doris Villanueva-Perez, Angela Montalvan-Avalos, Katherine Vallejos-Sanchez, Mirko Zimic-Peralta, Manolo Fernandez-Sanchez, Manolo Fernandez-Diaz
Summary: Genome sequencing of a highly virulent Salmonella enterica subsp. enterica serovar Javiana strain isolated from broiler chickens in Peru revealed multiple virulence factors, antibiotic resistance genes, and invasion-related subcategories. The results provide insights into the potential importance of this strain in causing infections in various animals.
MICROBIOLOGY RESOURCE ANNOUNCEMENTS
(2023)
Article
Fisheries
Romulo E. Loayza-Aguilar, Juan Carhuapoma-Garay, Kelly Ramos-Falla, Guillermo B. Saldana-Rojas, Yolanda P. Huamancondor-Paz, Luis Campoverde-Vigo, Fernando Merino, Gustavo E. Olivos-Ramirez
Summary: This research aimed to determine the effect of epibionts on the growth, weight, and survival of Argopecten purpuratus, a mollusk extensively cultivated in Peru. The results showed that the development of epibionts can generate significant stress on A. purpuratus, resulting in losses in the profitability of companies engaged in this activity.
Article
Immunology
Andres Agurto-Arteaga, Astrid Poma-Acevedo, Dora Rios-Matos, Ricardo Choque-Guevara, Ricardo Montesinos-Millan, Angela Montalvan, Gisela Isasi-Rivas, Yudith Cauna-Orocollo, Maria de Grecia Cauti-Mendoza, Norma Perez-Martinez, Kristel Gutierrez-Manchay, Ingrid Ramirez-Ortiz, Dennis Nunez-Fernandez, Mario I. Salguedo-Bohorquez, Stefany Quinones-Garcia, Manolo Fernandez Diaz, Luis A. Guevara Sarmiento, Mirko Zimic
Summary: The study demonstrated the potential of using egg-yolk antibodies (IgY) to prevent and treat COVID-19, with experimental evidence showing its effectiveness in both prevention and treatment of infection.
FRONTIERS IN IMMUNOLOGY
(2022)