Crystal structure of SARS-CoV-2 papain-like protease
Gao, Xiaopan, Qin, Bo, Chen, Pu, Zhu, Kaixiang, Hou, Pengjiao, Wojdyla, Justyna Aleksandra, Wang, Meitian, Cui, Sheng·2021·Acta Pharmaceutica Sinica B
Cited by (339)
Items 101–200 of 339
- Unraveling the unbinding pathways of SARS-CoV-2 Papain-like proteinase known inhibitors by Supervised Molecular Dynamics simulationFarzin Sohraby, Hassan Aryapour · 2021 · PLoS ONE
- Host and Viral Zinc-Finger Proteins in COVID-19Sabrina Esposito, Gianluca D’Abrosca, Anna Antolak, Paolo V. Pedone, Carla Isernia, Gaetano Malgieri · 2022 · International Journal of Molecular Sciences
- Large-Scale Virtual Screening for the Discovery of SARS-CoV‑2 Papain-like Protease (PLpro) Non-covalent InhibitorsOlivia Garland, Anh‐Tien Ton, Shoeib Moradi, Jason R. Smith, Suzana Kovacic, Kurtis Ng, Mohit Kumar Pandey, Fuqiang Ban, Jaeyong Lee, Marija Vuckovic et al. · 2023 · Journal of Chemical Information and Modeling
- Knowing and combating the enemy: a brief review on SARS-CoV-2 and computational approaches applied to the discovery of drug candidatesMateus Sá Magalhães Serafim, Jadson Castro Gertrudes, Débora Maria Abrantes Costa, Patrícia Rufino Oliveira, Vinícius Gonçalves Maltarollo, Kathia Maria Honorio · 2021 · Bioscience Reports
- The role of multi-omics in the diagnosis of COVID-19 and the prediction of new therapeutic targetsJianli Ma, Yuwei Deng, Minghui Zhang, Jinming Yu · 2022 · Virulence
- Inhibitor induced conformational changes in SARS-COV-2 papain-like proteaseG. M. Ferreira, Thanigaimalai Pillaiyar, M. Hirata, A. Poso, Thales Kronenberger · 2022 · Scientific Reports
- Potential targets of severe acute respiratory syndrome coronavirus 2 of clinical drug fluvoxamine: Docking and molecular dynamics studies to elucidate viral actionSaroj Kumar Panda, Parth Sarthi Sen Gupta, Malay Kumar Rana · 2022 · Cell Biochemistry and Function
- Polyphenolic Compounds Isolated from Marine Algae Attenuate the Replication of SARS-CoV-2 in the Host Cell through a Multi-Target Approach of 3CLpro and PLproD. P. Nagahawatta, Nisansala Madushani Liyanage, Jun-Geon Je, H.H.A.C.K. Jayawardhana, Thilina Uduwaka Jayawardena, Seong-Hun Jeong, Hyung‐Jun Kwon, Cheol Soo Choi, You‐Jin Jeon · 2022 · Marine Drugs
- Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like ProteaseQian Wang, Guofeng Chen, Jian He, Jiameng Li, Muya Xiong, Haixia Su, Minjun Li, Hangchen Hu, Yechun Xu · 2023 · International Journal of Molecular Sciences
- In silico analysis of SARS-CoV-2 papain-like protease potential inhibitorsSamia A. Elseginy, Manal M. Anwar · 2021 · RSC Advances
- In Silico Screening of Plant-Derived Anti-virals from Shorea hemsleyana (King) King ex Foxw Against SARS CoV-2 Main ProteaseDSNBK Prasanth, Gagandeep Singh, Siva Prasad Panda, Suneetha Achanti, Hemant Soni, Tapan K. Chaudhuri, Harshal Ashok Pawar, Md Jahasultana · 2022 · Chemistry Africa
- A strategy for evaluating potential antiviral resistance to small molecule drugs and application to SARS-CoV-2Karen Sargsyan, Karine Mazmanian, Carmay Lim · 2023 · Scientific Reports
- Identification of novel allosteric sites of SARS-CoV-2 papain-like protease (PLpro) for the development of COVID-19 antiviralsJuliana C. Ferreira, Adrian J. Villanueva, Kenana Al Adem, Samar Fadl, Lara Alzyoud, Mohammad A. Ghattas, Wael M. Rabeh · 2024 · Journal of Biological Chemistry
- Inhibitory activities of alginate phosphate and sulfate derivatives against SARS-CoV-2 in vitroCheng Long Yang, Dan Li, Shixin Wang, Meijie Xu, Dingfu Wang, Xin Li, Ximing Xu, Chunxia Li · 2022 · International Journal of Biological Macromolecules
- Design of inhibitors of SARS-CoV-2 papain-like protease deriving from GRL0617: Structure–activity relationshipsLukáš Kerti, Vladimı́r Frecer · 2024 · Bioorganic & Medicinal Chemistry
- Advances in the Search for SARS-CoV-2 Mpro and PLpro InhibitorsMarcel Arruda Diogo, Augusto Gomes Teixeira Cabral, Renata Barbosa de Oliveira · 2024 · Pathogens
- Advances in Pathogenesis, Progression, Potential Targets and Targeted Therapeutic Strategies in SARS-CoV-2-Induced COVID-19Hong Zhou, Wei‐Jian Ni, Wei Huang, Zhen Wang, Ming Cai, Yan-Cai Sun · 2022 · Frontiers in Immunology
- SARS-COV-2 Coronavirus Papain-like Protease PLpro as an Antiviral Target for Inhibitors of Active Site and Protein–Protein InteractionsP. V. Ershov, Evgeniy O. Yablokov, Yuri V. Mezentsev, Gennady N. Chuev, Marina V. Fedotova, Sergey E. Kruchinin, Alexis S. Ivanov · 2022 · BIOPHYSICS
- β-Cyclodextrins as affordable antivirals to treat coronavirus infectionDàlia Raïch Regué, Raquel Tenorio, Isabel Fernández de Castro, Ferran Tarrés-Freixas, Martin Sachse, Daniel Perez‐Zsolt, Jordana Muñoz‐Basagoiti, Sara Y. Fernández-Sánchez, Marçal Gallemí, Paula Ortega-González et al. · 2023 · Biomedicine & Pharmacotherapy
- Establishing an Analogue Based In Silico Pipeline in the Pursuit of Novel Inhibitory Scaffolds against the SARS Coronavirus 2 Papain-Like ProteaseRoxanna Hajbabaie, Matthew Thomas Harper, Taufiq Rahman · 2021 · Molecules
- DrugDevCovid19: An Atlas of Anti-COVID-19 Compounds Derived by Computer-Aided Drug DesignYang Liu, Jianhong Gan, Rongqi Wang, Xiaocong Yang, Zhi‐Xiong Jim Xiao, Yang Cao · 2022 · Molecules
- Identifying and repurposing antiviral drugs against severe acute respiratory syndrome coronavirus 2 with in silico and in vitro approachesK. Watashi · 2020 · Biochemical and Biophysical Research Communications - BBRC
- Druggable targets and therapeutic development for COVID-19Xiaohua Duan, Lauretta A. Lacko, Shuibing Chen · 2022 · Frontiers in Chemistry
- Development of 2-chloroquinoline based heterocyclic frameworks as dual inhibitors of SARS-CoV-2 MPro and PLProBhavita Kattula, Bharati Reddi, Aruna Jangam, Lekhika Naik, Bala Manikantha Adimoolam, V. Suresh, Sayanna Are, Jagadeshwar Reddy Thota, Surender Singh Jadav, Mohammed Arifuddin et al. · 2023 · International Journal of Biological Macromolecules
- SARS-CoV-2 papain-like protease (PLpro) inhibitory and antiviral activity of small molecule derivatives for drug leadsArun Kumar Ghosh, Dana Shahabi, Mackenzie E.C. Imhoff, Satish Kovela, Ashish Sharma, Shin-ichiro Hattori, Nobuyo Higashi‐Kuwata, Hiroaki Mitsuya, Andrew D. Mesecar · 2023 · Bioorganic & Medicinal Chemistry Letters
- Progress in SARS-CoV-2, diagnostic and clinical treatment of COVID-19Yang Li, Si-Ming Lu, Jia-Long Wang, Hangping Yao, L. Liang · 2024 · Heliyon
- Analysis of Structures of SARS-CoV-2 Papain-like Protease Bound with Ligands Unveils Structural Features for Inhibiting the EnzymeAnn Varghese, Jie Liu, Bailang Liu, Wenjing Guo, Fan Dong, Tucker A. Patterson, Huixiao Hong · 2025 · Molecules
- Losartan Inhibits SARS-CoV-2 Replication in VitroReza Nejat, Ahmad Shahir Sadr, Brendan T. Freitas, Jackelyn M. Crabtree, Scott D. Pegan, Ralph A. Tripp, David J. Najafi · 2021 · Journal of Pharmacy & Pharmaceutical Sciences
- Targeting papain-like protease by natural products as novel therapeutic potential SARS-CoV-2Muhammad Salman Waqas, Saeed Mahmud Ullah, Sobia Ahsan Halim, Najeeb Ur Rehman, Amjad Ali, Afnan Jan, Abdullatif Bin Muhsinah, Ajmal Khan, Ahmed Al‐Harrasi · 2023 · International Journal of Biological Macromolecules
- Andrographis paniculata (Burm. F.) Wall. Ex Nees, Andrographolide, and Andrographolide Analogues as SARS-CoV-2 Antivirals? A Rapid ReviewXin Yi Lim, Janice Sue Wen Chan, Terence Yew Chin Tan, Bee Ping Teh, Mohd Ridzuan Mohd Abd Razak, Saharuddin Bin Mohamad, Ami Fazlin Syed Mohamed · 2021 · Natural Product Communications
- Molecular modelling on SARS-CoV-2 papain-like protease: an integrated study with homology modelling, molecular docking, and molecular dynamics simulationsArwansyah Arwansyah, Abdur Rahman Arif, Irwan Ramli, Isman Kurniawan, Sukarti Sukarti, Masqudul Alam, Ilmiati Illing, A. Farid Lewa, Baso Manguntungi · 2021 · SAR and QSAR in environmental research
- Structure-based inhibitor design and repurposing clinical drugs to target SARS-CoV-2 proteasesAnoop Narayanan, Shay A. Toner, Joyce Jose · 2021 · Biochemical Society Transactions
- In silico study to identify novel potential thiadiazole-based molecules as anti-Covid-19 candidates by hierarchical virtual screening and molecular dynamics simulationsHuda R. M. Rashdan, Aboubakr Haredi Abdelmonsef · 2022 · Structural Chemistry
- Computational approaches to define poncirin fromMagnolia champakaleaves as a novel multi-target inhibitor of SARS-CoV-2Shashank M. Patil, Bhaskar Phanindra, Prithvi S. Shirahatti, Reshma Mary Martiz, Harshit Sajal, Abdullatif Taha Babakr, Ramith Ramu · 2023 · Journal of Biomolecular Structure and Dynamics
- Discovery of new non-covalent and covalent inhibitors targeting SARS-CoV-2 papain-like protease and main proteaseWandong Liu, Juan Wang, Suyun Wang, Kairui Yue, Yu Hu, Xiaochun Liu, Lihao Wang, Shengbiao Wan, Ximing Xu · 2023 · Bioorganic Chemistry
- Integrating Molecular Dynamics, Molecular Docking, and Machine Learning for Predicting SARS-CoV-2 Papain-like Protease BindersAnn Varghese, Jie Liu, Tucker A. Patterson, Huixiao Hong · 2025 · Molecules
- Integrative Multi-Omics Landscape of Non-Structural Protein 3 of Severe Acute Respiratory Syndrome CoronavirusesRuona Shi, Zhenhuan Feng, Xiaofei Zhang · 2021 · Genomics Proteomics & Bioinformatics
- Investigation of small molecule inhibitors of the SARS-CoV-2 papain-like protease by all-atom microsecond modelling, PELE Monte Carlo simulations, and in vitro activity inhibitionJulia J. Liang, Eleni Pitsillou, Katherine Ververis, Vı́ctor Guallar, Andrew Hung, Tom C. Karagiannis · 2021 · Chemical Physics Letters
- Inhibiting a dynamic viral protease by targeting a non-catalytic cysteineKaitlin R. Hulce, Priyadarshini Jaishankar, Gregory Lee, Markus‐Frederik Bohn, Emily J. Connelly, Kristin Wucherer, Chayanid Ongpipattanakul, Regan F. Volk, Shih‐Wei Chuo, Michelle R. Arkin et al. · 2022 · Cell chemical biology
- Covalent Inhibitors from Saudi Medicinal Plants Target RNA-Dependent RNA Polymerase (RdRp) of SARS-CoV-2Ahmed H.H. Bakheit, Quaiser Saquib, Sarfaraz Ahmed, Sabiha Mahmood Ansari, Abdullah M. Al-Salem, Abdulaziz Ali Al-Khedhairy · 2023 · Viruses
- Natural Products with Tandem Anti-inflammatory, Immunomodulatory and Anti-SARS-CoV/2 Effects: A Drug Discovery Perspective against SARS-CoV-2Luana Niederauer Oliveira Leal da Cunha, Tiago Tizziani, Gabriella B. Souza, Monalisa A. Moreira, José S. S. Neto, Carlos V. D. Dos Santos, Maryelle G. de Carvalho, Eduardo Monguilhott Dalmarco, Leonardo B. Turqueti, Luciana Scotti et al. · 2021 · Current Medicinal Chemistry
- Anisodamine potently inhibits SARS-CoV-2 infection in vitro and targets its main proteaseWei Wei, Ni Kong, Meng-Zhen Liu, Ting Han, Junfeng Xu, Chong Liu · 2022 · Biochemical and Biophysical Research Communications
- A robust high-throughput fluorescence polarization assay for rapid screening of SARS-CoV-2 papain-like protease inhibitorsHaohao Yan, Zhicheng Liu, Gangan Yan, Xiaoli Liu, Xiaoping Liu, Yanchang Wang, Yunyu Chen · 2022 · Virology
- Bioactive peptides as functional food ingredients: Production, mechanisms of action, market trends, and future perspectives with emphasis on andean cropsGabriela Ibieta, Jimena Ortiz-Sempértegui, José Mauricio Peñarrieta, Javier A. Linares‐Pastén · 2025 · Journal of Functional Foods
- Targeting viral proteins for restraining SARS-CoV-2: focusing lens on viral proteins beyond spike for discovering new drug targetsTao Yang, Si Chun Wang, Linyan Ye, Yasen Maimaitiyiming, Hua Naranmandura · 2023 · Expert Opinion on Drug Discovery
- Benchmarking biomolecular force fields for molecular dynamics simulations of native fold and enzymatic activity of SARS-CoV-2 papain-like proteaseKateryna O. Lohachova, Alexander V. Kyrychenko, Oleg N. Kalugin · 2025 · Heliyon
- Unraveling the Molecular Mechanism of Recognition of Human Interferon-Stimulated Gene Product 15 by Coronavirus Papain-Like Proteases: A Multiscale Simulation StudyRajarshi Roy, Nisha Amarnath Jonniya, Sayan Poddar, Md Fulbabu Sk, Parimal Kar · 2021 · Journal of Chemical Information and Modeling
- Investigation of changes in protein stability and substrate affinity of 3CL-protease of SARS-CoV-2 caused by mutationsEkrem Akbulut · 2022 · Genetics and Molecular Biology
- Effects of diarylbutane lignans from Schisandra chinensis fruit on SARS-CoV-2 3CLpro and PLpro and their in vitro anti-inflammatory propertiesBin Li, Liansheng Qiao, Qi Xiao, Jianuo Zhang, Jiushi Liu, Bengang Zhang, Haitao Liu · 2023 · Phytomedicine Plus
- Structural insights into SARS-CoV-2 infection and therapeutics developmentGangyu Sun, Lulu Xue, Qingjing He, Yue Zhao, Wenqing Xu, Zhizhi Wang · 2021 · Stem Cell Research
- Chemical Space Profiling of SARS-CoV-2 PL pro Using DNA-Encoded Focused LibrariesXudong Wang, Ying Zhu, Qingyi Zhao, Weiwei Lu, Yechun Xu, Hangchen Hu, Xiaojie Lu · 2024 · ACS Medicinal Chemistry Letters
- Boosting immunity: synergistic antiviral effects of luteolin, vitamin C, magnesium and zinc against SARS-CoV-2 3CLproJuliana C. Ferreira, Samar Fadl, Thyago Hermylly Santana Cardoso, Bruno Silva Andrade, Tarcísio Silva Melo, Edson Mário de Andrade Silva, Anupriya Agarwal, Stuart Grant Turville, Nitin K. Saksena, Wael M. Rabeh · 2024 · Bioscience Reports
- In Silico Analysis of Inhibiting Papain-like Protease from SARS-CoV-2 by Using Plant-Derived PeptidesMohammad Moradi, Reza Golmohammadi, Ali Najafi, Mehrdad Moosazadeh Moghaddam, Mahdi Fasihi‐Ramandi, Reza Mirnejad · 2021 · International Journal of Peptide Research and Therapeutics
- Atomistic-Level Description of the Covalent Inhibition of SARS-CoV-2 Papain-like ProteaseCécilia Hognon, Marco Marazzi, Cristina García‐Iriepa · 2022 · International Journal of Molecular Sciences
- Therapeutic potential of metal ions for COVID-19: insights from the papain-like protease of SARS-CoV-2Cameron Lee Shetler, Juliana C. Ferreira, Thyago Hermylly Santana Cardoso, Edson M.A. Silva, Nitin K. Saksena, Wael M. Rabeh · 2022 · Biochemical Journal
- Biosensors based detection of novel biomarkers associated with COVID-19: Current progress and future promiseMintu Pal, Thingreila Muinao, Arpana Parihar, Dilip Kumar Roy, Hari Prasanna Deka Boruah, Neeraj Mahindroo, Raju Khan · 2022 · Biosensors and Bioelectronics X
- Mercapto-pyrimidines are reversible covalent inhibitors of the papain-like protease (PLpro) and inhibit SARS-CoV-2 (SCoV-2) replicationTeena Bajaj, Eddie Wehri, Rahul K. Suryawanshi, Elizabeth King, Kundansingh A. Pardeshi, Kamyar Behrouzi, Zahra Khodabakhshi, Ursula Schulze‐Gahmen, G. Renuka Kumar, Mohammad R. K. Mofrad et al. · 2023 · RSC Advances
- NMR Characterization of the Papain-like Protease from SARS-CoV-2 Identifies the Conformational Heterogeneity in Its Inhibitor-Binding SiteYutaro Shiraishi, Ichio Shimada · 2023 · Journal of the American Chemical Society
- Drug Repurposing for the Identification of Compounds with Anti-SARS-CoV-2 Capability via Multiple TargetsPei-Chen Yu, Chen-Hao Huang, Chih‐Jung Kuo, Po‐Huang Liang, Lily Hui-Ching Wang, Max Yu-Chen Pan, Sui‐Yuan Chang, Tai‐Ling Chao, Si‐Man Ieong, Jun‐Tung Fang et al. · 2022 · Pharmaceutics
- SARS-CoV-2 ORF10 hijacking ubiquitination machinery reveals potential unique drug targeting sitesKaixiang Zhu, Lili Song, Linyue Wang, Lei Hua, Zi-Yu Luo, Tong-Yun Wang, Bo Qin, Shuofeng Yuan, Xiaopan Gao, Wenyi Mi et al. · 2024 · Acta Pharmaceutica Sinica B
- Design, Synthesis, and Biological Evaluation of 1,2,4-Oxadiazole Derivatives Containing an Aryl Carboxylic Acid Moiety as Potent Sarbecovirus Papain-like Protease InhibitorsBo Qin, Chengwei Wu, Binbin Zhao, Gang Li, Baolian Wang, Mengdie Ou, Ziheng Li, Xuli Lang, Peng Li, Jiangning Liu et al. · 2024 · Journal of Medicinal Chemistry
- Pathfinder-Driven Chemical Space Exploration and Multiparameter Optimization in Tandem with Glide/IFD and QSAR-Based Active Learning Approach to Prioritize Design Ideas for FEP+ Calculations of SARS-CoV-2 PLpro InhibitorsNjabulo Joyfull Gumede · 2022 · Molecules
- Mechanistic Insights into Targeting SARS-CoV-2 Papain-like Protease in the Evolution and Management of COVID-19Nonjabulo Ntombikhona Magwaza, Aganze Gloire-Aimé Mushebenge, Samuel Chima Ugbaja, Nonkululeko Avril Mbatha, Rene Bernadette Khan, Hezekiel Mathambo Kumalo · 2024 · BioChem
- Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse dockingSergio Román Ribone, S. Alexis Paz, Cameron F. Abrams, Marcos Ariel Villarreal · 2021 · Journal of Computer-Aided Molecular Design
- An outlook on potential protein targets of COVID-19 as a druggable siteRubia Noori, Meryam Sardar · 2022 · Molecular Biology Reports
- Molecular modeling of lupeol for antiviral activity and cellular effectsPawi Bawitlung Lalthanpuii, C. Lalrinmawia, B. Lalruatfela, Lal Ramliana, Kholhring Lalchhandama · 2023 · Journal of Applied Pharmaceutical Science
- A phenothiazine urea derivative broadly inhibits coronavirus replication via viral protease inhibitionKatrina L. Forrestall, Eric S. Pringle, Dane C. Sands, Brett A. Duguay, Brett Farewell, Tekeleselassie Ayalew Woldemariam, Darryl Falzarano, Ian R. Pottie, Craig McCormick, Sultan Darvesh · 2023 · Antiviral Research
- Inhibition of interferon-stimulated gene 15 and lysine 48-linked ubiquitin binding to the SARS-CoV-2 papain-like protease by small molecules: In silico studiesEleni Pitsillou, Julia J. Liang, Andrew Hung, Tom C. Karagiannis · 2021 · Chemical Physics Letters
- The Swiss army knife of SARS-CoV-2: the structures and functions of NSP3Lea C. von Soosten, Maximilian Edich, Kristopher Nolte, Johannes Kaub, Gianluca Santoni, Andrea Thorn · 2022 · Crystallography Reviews
- Preparation and characterization of nanobodies targeting SARS-CoV-2 papain-like proteaseHuarui Qiao, Lingyun Li, Lu Wang, Haijun Yu, Fangzheng Hu, Xin Zhou, Hongzhao Yang, Jianfeng Xu, Xiangjing Meng, Yong Geng et al. · 2023 · Protein Expression and Purification
- Searching for potential drugs against SARS-CoV-2 through virtual screening on several molecular targetsJoyce S. F. D. de Almeida, Fernanda D. Botelho, Felipe Rodrigues de Souza, Marcelo Carneiro dos Santos, Arlan da Silva Gonçalves, Rodrigo Leonard Barboza Rodrigues, Monique Cardozo, Daniel A. S. Kitagawa, Leandro A. Vieira, Raphael S. F. Silva et al. · 2021 · Journal of Biomolecular Structure and Dynamics
- Potent and Selective Covalent Inhibition of the Papain-like Protease from SARS-CoV-2Brian Sanders, Suman Pokhrel, Audrey D. Labbe, Irimpan I. Mathews, Connor J. Cooper, Russell B. Davidson, Gwyndalyn Phillips, Kevin L. Weiss, Qiu Zhang, Hugh O’Neill et al. · 2022 · Research Square
- Review of the crystallized structures of the SARS-CoV-2 papain-like proteaseYue Qiu, Jiang Hua-Juan, Yu‐Shun Yang, Xiaoqin Hu, Zeng Xue-Wen · 2025 · Journal of Molecular Structure
- Computational identification of potential inhibitory compounds in Indian medicinal and aromatic plant species against major pathogenicity determinants of SARS-CoV-2Shilpa Sharma, Ashish Sharma, Dipto Bhattacharyya, Rajinder Singh Chauhan · 2021 · Journal of Biomolecular Structure and Dynamics
- Harnessing and bioprospecting botanical-based herbal medicines against potential drug targets for COVID-19: a review coupled molecular docking studiesTarun Pal, Uttpal Anand, Shreya Sikdar Mitra, Protha Biswas, Vijay Shankar Tripathi, Jarosław Proćków, Abhijit Dey, José Manuel Pérez de la Lastra · 2023 · Journal of Biomolecular Structure and Dynamics
- Identification of Phytochemicals from Arabian Peninsula Medicinal Plants as Strong Binders to SARS-CoV-2 Proteases (3CLPro and PLPro) by Molecular Docking and Dynamic Simulation StudiesQuaiser Saquib, Ahmed H.H. Bakheit, Sarfaraz Ahmed, Sabiha Mahmood Ansari, Abdullah M. Al-Salem, Abdulaziz Ali Al-Khedhairy · 2024 · Molecules
- Myrtucommulones and Related Acylphloroglucinols from Myrtaceae as a Promising Source of Multitarget SARS-CoV-2 Cycle InhibitorsSimony Carvalho Mendonça, Brendo Araújo Gomes, Mariana Freire Campos, Thamirys Silva da Fonseca, Maria Eduarda Alves Esteves, Bruce Veiga Andriolo, Caio Felipe de Araujo Ribas Cheohen, Larissa Esteves Carvalho Constant, Stephany da Silva Costa, Pedro Telles Calil et al. · 2024 · Pharmaceuticals
- Exploring the binding dynamics of covalent inhibitors within active site of PLpro in SARS-CoV-2Deepesh Kumar Patel, Harish Kumar, Masilamani Elizabeth Sobhia · 2024 · Computational Biology and Chemistry
- Mechanistic Insights into Nitrile and Alkyne Covalent Inhibitors of the SARS-CoV-2 Main ProteaseAshim Nandi, Mojgan Asadi, Aoxuan Zhang, Zhen Tao Chu, Arieh Warshel · 2025 · ACS Catalysis
- SARS-CoV-2 Papain-like Protease Negatively Regulates the NLRP3 Inflammasome Pathway and Pyroptosis by Reducing the Oligomerization and Ubiquitination of ASCHuan Meng, Jianglin Zhou, Mingyu Wang, Mei Zheng, Yaling Xing, Yajie Wang · 2023 · Microorganisms
- Hydrogen bonding penalty used for virtual screening to discover potent inhibitors for Papain‐Like cysteine proteases of SARS‐CoV‐2Guangjian Zhao, Xiaochun Liu, Suyun Wang, Zhongyue Bai, Siyu Zhang, Yifan Wang, Haibo B. Yu, Ximing Xu · 2022 · Chemical Biology & Drug Design
- Mass spectrometric assays monitoring the deubiquitinase activity of the SARS-CoV-2 papain-like protease inform on the basis of substrate selectivity and have utility for substrate identificationLennart Brewitz, H. T. Henry Chan, Petra Lukacik, Claire M. Strain-Damerell, Martin Austin Walsh, Fernanda Duarte, Christopher John Schofield · 2023 · Bioorganic & Medicinal Chemistry
- Identification of Naturally Occurring Antiviral Molecules for SARS-CoV-2 MitigationShiwani Rana, Prateek Kumar, Anchal Sharma, Sanjay Kumar Sharma, Rajanish Giri, Kalyan Sundar Ghosh · 2021 · The Open COVID Journal
- New Strategies for Responding to SARS-CoV-2: The Present and Future of Dual-Target DrugsWenyi Zhang, Lecheng Xiao, Dianyang Li, Yuxuan Hu, Wenying Yu · 2024 · Journal of Medicinal Chemistry
- Disrupting protease and deubiquitinase activities of SARS-CoV-2 papain-like protease by natural and synthetic products discovered through multiple computational and biochemical approachesMuhammad Salman Waqas, Saeed Mahmud Ullah, Atta Ullah, Sobia Ahsan Halim, Najeeb Ur Rehman, Asaad Khalid, Amjad Ali, Ajmal Khan, Simon Gibbons, René Csük et al. · 2024 · International Journal of Biological Macromolecules
- Parthenolide reveals an allosteric mode to inhibit the deISGylation activity of SARS-CoV‑2 papain-like proteaseZhihui Zou, Huizhuang Shan, Demeng Sun, Xia Li, Yulong Shi, Jiahui Wan, Aiwu Zhou, Yunzhao Wu, Hanzhang Xu, Hu Lei et al. · 2022 · Acta Biochimica et Biophysica Sinica
- Search for Novel Potent Inhibitors of the SARS-CoV-2 Papain-like Enzyme: A Computational Biochemistry ApproachManuel Isaías Osorio, Osvaldo Yáñez, Mauricio O. Gallardo, Matías Zúñiga-Bustos, Jorge Mulia-Rodríguez, Roberto López-Rendón, Olimpo García‐Beltrán, Fernando Danilo González-Nilo, Jose Manuel Perez-Donoso · 2022 · Pharmaceuticals
- Discovery of the Cryptic Sites of SARS-CoV-2 Papain-like Protease and Analysis of Its DruggabilityYue Qiu, Qing Liu, Gao Tu, Xiaojun Yao · 2022 · International Journal of Molecular Sciences
- Comprehensive Analysis of SARS-COV-2 Drug Targets and Pharmacological Aspects in Treating the COVID-19Sundaresan Bhavaniramya, Vanajothi Ramar, Selvaraju Vishnupriya, Palaniappan Ramasamy, Ashokkumar Sibiya, Baskaralingam Vaseeharan · 2021 · Current Molecular Pharmacology
- Activity profiling of deubiquitinating inhibitors-bound to SARS-CoV-2 papain like protease with antiviral efficacy in murine infection modelShweta Choudhary, Sanketkumar Nehul, Santhosh Kambaiah Nagaraj, Rohan Narayan, Shalja Verma, Swati Sharma, Annu Kumari, Ruchi Rani, Ankita Saha, Debabrata Sircar et al. · 2022 · bioRxiv (Cold Spring Harbor Laboratory)
- Kaurenoic acid is a potent inhibitor of SARS-CoV-2 RNA synthesis, virion assembly, and release in vitroIgor Andrade Santos, Victória Riquena Grosche, Natasha Marques Cassani, Rodrigo Cássio Sola Veneziani, Gustavo Lima Ribeiro, Jairo Kenupp Bastos, Nilson Nicolau-Júnior, Andres Merits, Carlos Henrique Gomes Martins, Mark Harris et al. · 2025 · Frontiers in Microbiology
- Computational Study on SARS-CoV-2 Viral Protein Interaction with Natural Compounds of Coriandrum sativum LRoshan Priyarangana Perera, S. P. B. M Senadheera, Suresh Hewapathirana · 2022 · International Conference on Advanced Research in Computing (ICARC)
- SARS-CoV-2 and UPS with potentials for therapeutic interventionsJannatul Ferdoush, Rizwaan Abdul Kadir, Selin Kaplanoğlu, Morgan Osborn · 2024 · Gene
- Plants Metabolites as In Vitro Inhibitors of SARS-CoV-2 Targets: A Systematic Review and Computational AnalysisBrendo Araújo Gomes, Diégina Araújo Fernandes, Thamirys Silva da Fonseca, Mariana Freire Campos, Patrícia Alves Jural, Marcos Vinicius Toledo e Silva, Larissa Esteves Carvalho Constant, Andrex Augusto Silva da Veiga, Beatriz Ribeiro Ferreira, Ellen Santos Magalhães et al. · 2025 · Drugs and Drug Candidates
- Structural Understanding of SARS-CoV-2 Drug Targets, Active Site Contour Map Analysis and COVID-19 TherapeuticsChandrabose Selvaraj, Dhurvas Chandrasekaran Dinesh, Petra Krafčíková, Evžen Bouřa, Murali Aarthy, Muthuraja Arun Pravin, Sanjeev Kumar Singh · 2021 · Current Molecular Pharmacology
- Production of recombinant SARS-CoV-2 3CL-protease: The key for the development of protease inhibitors screening kit in search of potential herb cure for COVID-19Haniyya Haniyya, Maria Ulfah, Asep Riswoko, Lina Mulyawati, Teni Ernawati, Is Helianti · 2022 · IOP Conference Series Earth and Environmental Science
- Screening, Synthesis and Biochemical Characterization of SARS-CoV-2 Protease InhibitorsMartynas Bagdonas, Kamilė Čerepenkaitė, Aurelija Mickevičiu̅tė, Rūta Kananavičiūtė, Birutė Grybaitė, Kazimieras Anusevičius, Audronė Rukšėnaitė, Tautvydas Kojis, Marius Gedgaudas, Vytautas Mickevičius et al. · 2023 · International Journal of Molecular Sciences
- Alkaloids and Alkaloid-Like Compounds are Potential Scaffolds of Antiviral Agents against SARS-CoV-2 (COVID-19) VirusPrasat Kittakoop, Dhanushka Darshana, Rapeepat Sangsuwan, Chulabhorn Mahidol · 2022 · Heterocycles
- Design and synthesis of naturally-inspired SARS-CoV-2 inhibitorsHaitham Hassan, Jeanne Chiavaralli, Afnan Hassan, Loay Bedda, Tim Krischuns, Kuang‐Yu Chen, Alice Shi Ming Li, Adrien Delpal, Étienne Decroly, Masoud Vedadi et al. · 2023 · RSC Medicinal Chemistry
- Research progress on critical viral protease inhibitors for coronaviruses and enterovirusesShulei Hu, Qiuyu Zhong, Xiong Xie, Shurui Zhang, Jinlin Wang, Hong Shu Liu, Wenhao Dai · 2025 · Bioorganic & Medicinal Chemistry Letters