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original article |
Date |
Title |
Authors Max. 6 Authors |
| 1 |
[GO] |
2024―Feb―22 |
Harnessing Brazilian biodiversity database: identification of flavonoids as potential inhibitors of SARS-CoV-2 main protease using computational approaches and all-atom molecular dynamics simulation |
João Augusto Pereira da Rocha, Renato Araújo da Costa, Andreia do Socorro Silva da Costa, Elaine Cristina Medeiros da Rocha, Anderson José Bahia Gomes, Alencar Kolinski Machado, Solange Binotto Fagan, Davi do Socorro Barros Brasil, Anderson Henrique Lima e Lima |
| 2 |
[GO] |
2024―Jan―16 |
Elucidating the binding mechanism of SARS-CoV-2 NSP6-TBK1 and structure-based designing of phytocompounds inhibitors for instigating the host immune response |
Muhammad Suleman, Iqra Ishaq, Haji Khan, Safir Ullah khan, Rehana Masood, Norah A. Albekairi, Abdulrahman Alshammari, Sergio Crovella |
| 3 |
[GO] |
2023―Oct―24 |
Exploring the disruption of SARS-CoV-2 RBD binding to hACE2 |
Camryn Carter, Justin Airas, Haley Gladden, Bill R. Miller, Carol A. Parish |
| 4 |
[GO] |
2023―Sep―26 |
Exploration of phenolic acid derivatives as inhibitors of SARS-CoV-2 main protease and receptor binding domain: potential candidates for anti-SARS-CoV-2 therapy |
Nusrat Shafiq, Aiman Mehroze, Warda Sarwar, Uzma Arshad, Shagufta Parveen, Maryam Rashid, Ariba Farooq, Naila Rafiq, Gezahign Fentahun Wondmie, Yousef A. Bin Jardan, Simone Brogi, Mohammed Bourhia |
| 5 |
[GO] |
2023―May―18 |
Raman and fourier transform infrared spectroscopy techniques for detection of coronavirus (COVID-19): a mini review |
Qiuqi Zhang, Lei Zhao, Guoliang Qi, Xiaoru Zhang, Cheng Tian |
| 6 |
[GO] |
2023―Apr―20 |
Increased inflammatory cytokines and oxidative stress enhanced antibody production in breast and prostate cancer patients with COVID-19 related depression |
Naif K. Binsaleh, Subuhi Sherwani, Reem Eltayeb, Husam Qanash, Abdulrahman S. Bazaid, Maryam Althobiti, Mohannad S. Hazzazi, Saravanan Rajendrasozhan |
| 7 |
[GO] |
2023―Mar―13 |
PVC containing silver nanoparticles with antimicrobial properties effective against SARS-CoV-2 |
Daniel J. da Silva, Guilherme B. Gramcianinov, Pamela Z. Jorge, Vanessa B. Malaquias, Augusto A. Mori, Mário H. Hirata, Sergio A. M. Lopes, Luciano A. Bueno, Mathilde Champeau, Danilo J. Carastan |
| 8 |
[GO] |
2023―Feb―07 |
Qualitative and quantitative determination of chemical constituents in Jinbei oral liquid, a modern Chinese medicine for coronavirus disease 2019, by ultra-performance liquid chromatography coupled with mass spectrometry |
Aijun Zhang, Qingcui Xu, Juanjuan Jiang, Zimo Zhao, Liangzong Zhang, Kai Tao, Guiyun Cao, Jinghua Zhang, Lin Ding, Zhaoqing Meng, Wenyao Dong, Chunxia Wang |
| 9 |
[GO] |
2023―Jan―26 |
Interaction of copper potential metallodrugs with TMPRSS2: A comparative study of docking tools and its implications on COVID-19 |
Sergio Vazquez-Rodriguez, Diego Ramírez-Contreras, Lisset Noriega, Amalia García-García, Brenda L. Sánchez-Gaytán, Francisco J. Melendez, María Eugenia Castro, Walter Filgueira de Azevedo, Enrique González-Vergara |
| 10 |
[GO] |
2023―Jan―24 |
Computational investigation on the antioxidant activities and on the Mpro SARS-CoV-2 non-covalent inhibition of isorhamnetin |
Maciej Spiegel, Giada Ciardullo, Tiziana Marino, Nino Russo |
| 11 |
[GO] |
2023―Jan―12 |
Inhibitory effect of phytochemicals towards SARS-CoV-2 papain like protease (PLpro) proteolytic and deubiquitinase activity |
Anasha Kawall, Devin S. M. Lewis, Avini Sharma, Krishna Chavada, Rahul Deshmukh, Srujana Rayalam, Vicky Mody, Shashidharamurthy Taval |
| 12 |
[GO] |
2022―Dec―08 |
Identification of potential inhibitors of omicron variant of SARS-Cov-2 RBD based virtual screening, MD simulation, and DFT |
Xudong Lü, Cuiyue Feng, Ruijie Lü, Xiyu Wei, Shuai Fan, Maocai Yan, Xiandui Zhu, Zhifei Zhang, Zhaoyong Yang |
| 13 |
[GO] |
2022―Dec―06 |
Therapeutic potential of compounds targeting SARS-CoV-2 helicase |
Matthew T. J. Halma, Mark J. A. Wever, Sanne Abeln, Didier Roche, Gijs J. L. Wuite |
| 14 |
[GO] |
2022―Oct―31 |
Identification and characterization of alternative sites and molecular probes for SARS-CoV-2 target proteins |
Suhasini M. Iyengar, Kelly K. Barnsley, Hoang Yen Vu, Ian Jef A. Bongalonta, Alyssa S. Herrod, Jasmine A. Scott, Mary Jo Ondrechen |
| 15 |
[GO] |
2022―Oct―24 |
Structural similarities between SARS-CoV2 3CLpro and other viral proteases suggest potential lead molecules for developing broad spectrum antivirals |
Khushboo Bafna, Christopher L. Cioffi, Robert M. Krug, Gaetano T. Montelione |
| 16 |
[GO] |
2022―Oct―11 |
Discovery of putative inhibitors against main drivers of SARS-CoV-2 infection: Insight from quantum mechanical evaluation and molecular modeling |
Toheeb A. Balogun, Onyeka S. Chukwudozie, Uchechukwu C. Ogbodo, Idris O. Junaid, Olugbodi A. Sunday, Oluwasegun M. Ige, Abdullahi T. Aborode, Abiola D. Akintayo, Emmanuel A. Oluwarotimi, Isaac O. Oluwafemi, Oluwatosin A. Saibu, Prosper Chuckwuemaka, Damilola A. Omoboyowa, Abdullahi O. Alausa, Nkechi H. Atasie, Ayooluwa Ilesanmi, Gbenga Dairo, Zainab A. Tiamiyu, Gaber E. Batiha, Afrah Fahad Alkhuriji, Wafa Abdullah I. Al-Megrin, Michel De Waard, Jean-Marc Sabatier |
| 17 |
[GO] |
2022―Oct―05 |
Druggable targets and therapeutic development for COVID-19 |
Xiaohua Duan, Lauretta A. Lacko, Shuibing Chen |
| 18 |
[GO] |
2022―Jul―12 |
An Efficient Modern Strategy to Screen Drug Candidates Targeting RdRp of SARS-CoV-2 With Potentially High Selectivity and Specificity |
Haiping Zhang, Xiaohua Gong, Yun Peng, Konda Mani Saravanan, Hengwei Bian, John Z. H. Zhang, Yanjie Wei, Yi Pan, Yang Yang |
| 19 |
[GO] |
2022―Jun―08 |
Deciphering the Impact of Mutations on the Binding Efficacy of SARS-CoV-2 Omicron and Delta Variants With Human ACE2 Receptor |
Alamgir Khan, Salman Ali Khan, Komal Zia, Mezna Saleh Altowyan, Assem Barakat, Zaheer Ul-Haq |
| 20 |
[GO] |
2022―Apr―26 |
Inhibitors of SARS-CoV-2 PLpro |
Dale J. Calleja, Guillaume Lessene, David Komander |
| 21 |
[GO] |
2022―Apr―12 |
Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors |
Dale J. Calleja, Nathan Kuchel, Bernadine G. C. Lu, Richard W. Birkinshaw, Theresa Klemm, Marcel Doerflinger, James P. Cooney, Liana Mackiewicz, Amanda E. Au, Yu Q. Yap, Timothy R Blackmore, Kasiram Katneni, Elly Crighton, Janet Newman, Kate E. Jarman, Melissa J. Call, Bernhard C. Lechtenberg, Peter E. Czabotar, Marc Pellegrini, Susan A. Charman, Kym N. Lowes, Jeffrey P. Mitchell, Ueli Nachbur, Guillaume Lessene, David Komander |
| 22 |
[GO] |
2022―Apr―11 |
Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease |
Wiebke Ewert, Sebastian Günther, Francesca Miglioli, Sven Falke, Patrick Y. A. Reinke, Stephan Niebling, Christian Günther, Huijong Han, Vasundara Srinivasan, Hévila Brognaro, Julia Lieske, Kristina Lorenzen, Maria M. Garcia-Alai, Christian Betzel, Mauro Carcelli, Winfried Hinrichs, Dominga Rogolino, Alke Meents |
| 23 |
[GO] |
2022―Feb―24 |
Crystallization of Feline Coronavirus Mpro With GC376 Reveals Mechanism of Inhibition |
Jimmy Lu, Sizhu Amelia Chen, Muhammad Bashir Khan, Raelynn Brassard, Elena Arutyunova, Tess Lamer, Wayne Vuong, Conrad Fischer, Howard S. Young, John C. Vederas, M. Joanne Lemieux |
| 24 |
[GO] |
2022―Feb―23 |
Potential Inhibitors Targeting Papain-Like Protease of SARS-CoV-2: Two Birds With One Stone |
Haihai Jiang, Peiyao Yang, Jin Zhang |
| 25 |
[GO] |
2022―Feb―17 |
An Enhanced Hybrid Screening Approach to Identify Potent Inhibitors for the SARS-CoV-2 Main Protease From the NCI Compound Library |
Shuhua G. Li, Kai S. Yang, Lauren R. Blankenship, Chia-Chuan D. Cho, Shiqing Xu, Hongbin Wang, Wenshe Ray Liu |
| 26 |
[GO] |
2022―Feb―10 |
Natural Products and Nanotechnology Against Coronavirus Disease 2019 |
Ning Zeng, Xue Chen, Zeming Liu |
| 27 |
[GO] |
2022―Feb―04 |
Corrigendum: Inhibition of SARS-CoV-2 by Targeting Conserved Viral RNA Structures and Sequences |
Shalakha Hegde, Zhichao Tang, Junxing Zhao, Jingxin Wang |
| 28 |
[GO] |
2022―Feb―03 |
Targeting SARS-CoV-2 Proteases for COVID-19 Antiviral Development |
Zongyang Lv, Kristin E. Cano, Lijia Jia, Marcin Drag, Tony T. Huang, Shaun K. Olsen |
| 29 |
[GO] |
2022―Feb―01 |
In Planta Production of the Receptor-Binding Domain From SARS-CoV-2 With Human Blood Group A Glycan Structures |
Julia König-Beihammer, Ulrike Vavra, Yun-Ji Shin, Christiane Veit, Clemens Grünwald-Gruber, Yasmin Gillitschka, Jasmin Huber, Manuela Hofner, Klemens Vierlinger, Dieter Mitteregger, Andreas Weinhäusel, Richard Strasser |
| 30 |
[GO] |
2021―Dec―28 |
Repurposing of Drugs for SARS-CoV-2 Using Inverse Docking Fingerprints |
Marko Jukič, Katarina Kores, Dušanka Janežič, Urban Bren |
| 31 |
[GO] |
2021―Dec―23 |
Inhibition of SARS-CoV-2 by Targeting Conserved Viral RNA Structures and Sequences |
Shalakha Hegde, Zhichao Tang, Junxing Zhao, Jingxin Wang |
| 32 |
[GO] |
2021―Nov―19 |
Site-Specific Glycosylation Patterns of the SARS-CoV-2 Spike Protein Derived From Recombinant Protein and Viral WA1 and D614G Strains |
Yuan Tian, Lisa M. Parsons, Ewa Jankowska, John F. Cipollo |
| 33 |
[GO] |
2021―Oct―10 |
Inhibition Potencies of Phytochemicals Derived from Sesame Against SARS-CoV-2 Main Protease: A Molecular Docking and Simulation Study |
Anuj Kumar, Dwijesh Chandra Mishra, Ulavappa Basavanneppa Angadi, Rashmi Yadav, Anil Rai, Dinesh Kumar |
| 34 |
[GO] |
2021―Oct―01 |
Machine Learning of Serum Metabolic Patterns Encodes Asymptomatic SARS-CoV-2 Infection |
Qiongqiong Wan, Moran Chen, Zheng Zhang, Yu Yuan, Hao Wang, Yanhong Hao, Wenjing Nie, Liang Wu, Suming Chen |
| 35 |
[GO] |
2021―Sep―28 |
Characterization of Phytochemicals in Ulva intestinalis L. and Their Action Against SARS-CoV-2 Spike Glycoprotein Receptor-Binding Domain |
Seema A. Kulkarni, Sabari B.B. Krishnan, Bavya Chandrasekhar, Kaushani Banerjee, Honglae Sohn, Thirumurthy Madhavan |
| 36 |
[GO] |
2021―Sep―27 |
Structure-Based Virtual Screening and Identification of Potential Inhibitors of SARS-CoV-2 S-RBD and ACE2 Interaction |
Jiacheng Xiong, Yusen Xiang, Ziming Huang, Xiaohong Liu, Mengge Wang, Guangbo Ge, Hongzhuan Chen, Jianrong Xu, Mingyue Zheng, Lili Chen |
| 37 |
[GO] |
2021―Sep―24 |
A Linkage-specific Sialic Acid Labeling Strategy Reveals Different Site-specific Glycosylation Patterns in SARS-CoV-2 Spike Protein Produced in CHO and HEK Cell Substrates |
Qiong Wang, Yan Wang, Shuang Yang, Changyi Lin, Lateef Aliyu, Yiqun Chen, Lisa Parsons, Yuan Tian, Hongpeng Jia, Andrew Pekosz, Michael J. Betenbaugh, John F. Cipollo |
| 38 |
[GO] |
2021―Sep―10 |
Changes in Glycolytic Pathway in SARS-COV 2 Infection and Their Importance in Understanding the Severity of COVID-19 |
Adalberto Fernandes Santos, Pedro Póvoa, Paulo Paixão, António Mendonça, Luís Taborda-Barata |
| 39 |
[GO] |
2021―Sep―06 |
O-Glycosylation Landscapes of SARS-CoV-2 Spike Proteins |
Yong Zhang, Wanjun Zhao, Yonghong Mao, Yaohui Chen, Shanshan Zheng, Wei Cao, Jingqiang Zhu, Liqiang Hu, Meng Gong, Jingqiu Cheng, Hao Yang |
| 40 |
[GO] |
2021―Sep―03 |
Editorial: Molecular Studies of Covid-19 Chemistry |
Domenica Capasso, Sonia Di Gaetano, Chandrabose Selvaraj, Emilia Pedone |
| 41 |
[GO] |
2021―Jul―22 |
Identification of Potential Binding Sites of Sialic Acids on the RBD Domain of SARS-CoV-2 Spike Protein |
Bingqian Li, Lin Wang, Huan Ge, Xianglei Zhang, Penxuan Ren, Yu Guo, Wuyan Chen, Jie Li, Wei Zhu, Wenzhang Chen, Lili Zhu, Fang Bai |
| 42 |
[GO] |
2021―Jun―24 |
Catalytic Dyad Residues His41 and Cys145 Impact the Catalytic Activity and Overall Conformational Fold of the Main SARS-CoV-2 Protease 3-Chymotrypsin-Like Protease |
Juliana C. Ferreira, Samar Fadl, Adrian J. Villanueva, Wael M. Rabeh |
| 43 |
[GO] |
2021―May―10 |
Pharmacophore Modelling-Based Drug Repurposing Approaches for SARS-CoV-2 Therapeutics |
Shailima Rampogu, Keun Woo Lee |
| 44 |
[GO] |
2021―May―04 |
Molecular Docking and Dynamics Simulation Revealed the Potential Inhibitory Activity of ACEIs Against SARS-CoV-2 Targeting the hACE2 Receptor |
Ahmed A. Al-Karmalawy, Mohammed A. Dahab, Ahmed M. Metwaly, Sameh S. Elhady, Eslam B. Elkaeed, Ibrahim H. Eissa, Khaled M. Darwish |
| 45 |
[GO] |
2021―Apr―28 |
Pomegranate Peel Extract as an Inhibitor of SARS-CoV-2 Spike Binding to Human ACE2 Receptor (in vitro): A Promising Source of Novel Antiviral Drugs |
Annalisa Tito, Antonio Colantuono, Luciano Pirone, Emilia Pedone, Daniela Intartaglia, Giuliana Giamundo, Ivan Conte, Paola Vitaglione, Fabio Apone |
| 46 |
[GO] |
2021―Mar―29 |
Antiviral Essential Oil Components Against SARS-CoV-2 in Pre-procedural Mouth Rinses for Dental Settings During COVID-19: A Computational Study |
Pradeep Kumar Yadalam, Kalaivani Varatharajan, K. Rajapandian, Priyanka Chopra, Deepavalli Arumuganainar, Thilgavathi Nagarathnam, Honglae Sohn, Thirumurthy Madhavan |
| 47 |
[GO] |
2021―Mar―12 |
Structural Basis of Potential Inhibitors Targeting SARS-CoV-2 Main Protease |
Hylemariam Mihiretie Mengist, Tebelay Dilnessa, Tengchuan Jin |
| 48 |
[GO] |
2021―Feb―07 |
In Silico Study of Coumarins and Quinolines Derivatives as Potent Inhibitors of SARS-CoV-2 Main Protease |
Osvaldo Yañez, Manuel Isaías Osorio, Eugenio Uriarte, Carlos Areche, William Tiznado, José M. Pérez-Donoso, Olimpo García-Beltrán, Fernando González-Nilo |
| 49 |
[GO] |
2021―Feb―04 |
In silico Exploration of Inhibitors for SARS-CoV-2's Papain-Like Protease |
Tien Huynh, Wendy Cornell, Binquan Luan |
| 50 |
[GO] |
2021―Jan―21 |
Computational Characterizations of the Interactions Between the Pontacyl Violet 6R and Exoribonuclease as a Potential Drug Target Against SARS-CoV-2 |
Rangika Munaweera, Ying S. Hu |
| 51 |
[GO] |
2021―Jan―14 |
Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease |
Chandrabose Selvaraj, Umesh Panwar, Dhurvas Chandrasekaran Dinesh, Evzen Boura, Poonam Singh, Vikash Kumar Dubey, Sanjeev Kumar Singh |
| 52 |
[GO] |
2021―Jan―13 |
Structural Insight Into the SARS-CoV-2 Nucleocapsid Protein C-Terminal Domain Reveals a Novel Recognition Mechanism for Viral Transcriptional Regulatory Sequences |
Mei Yang, Suhua He, Xiaoxue Chen, Zhaoxia Huang, Ziliang Zhou, Zhechong Zhou, Qiuyue Chen, Shoudeng Chen, Sisi Kang |
| 53 |
[GO] |
2021―Jan―05 |
Elucidating Interactions Between SARS-CoV-2 Trimeric Spike Protein and ACE2 Using Homology Modeling and Molecular Dynamics Simulations |
Sugunadevi Sakkiah, Wenjing Guo, Bohu Pan, Zuowei Ji, Gokhan Yavas, Marli Azevedo, Jessica Hawes, Tucker A. Patterson, Huixiao Hong |
| 54 |
[GO] |
2020―Dec―23 |
Computational Prediction of Potential Inhibitors of the Main Protease of SARS-CoV-2 |
Renata Abel, María Paredes Ramos, Qiaofeng Chen, Horacio Pérez-Sánchez, Flaminia Coluzzi, Monica Rocco, Paolo Marchetti, Cameron Mura, Maurizio Simmaco, Philip E. Bourne, Robert Preissner, Priyanka Banerjee |
| 55 |
[GO] |
2020―Dec―10 |
Host DDX Helicases as Possible SARS-CoV-2 Proviral Factors: A Structural Overview of Their Hijacking Through Multiple Viral Proteins |
Flavia Squeglia, Maria Romano, Alessia Ruggiero, Giovanni Maga, Rita Berisio |
| 56 |
[GO] |
2020―Dec―08 |
Identification of Small Molecule Inhibitors of the Deubiquitinating Activity of the SARS-CoV-2 Papain-Like Protease: in silico Molecular Docking Studies and in vitro Enzymatic Activity Assay |
Eleni Pitsillou, Julia Liang, Katherine Ververis, Kah Wai Lim, Andrew Hung, Tom C. Karagiannis |
| 57 |
[GO] |
2020―Nov―19 |
Screening of Natural Products Targeting SARS-CoV-2-ACE2 Receptor Interface - A MixMD Based HTVS Pipeline |
Krishnasamy Gopinath, Elmeri M. Jokinen, Sami T. Kurkinen, Olli T. Pentikäinen |
| 58 |
[GO] |
2020―Nov―16 |
Repurposing Known Drugs as Covalent and Non-covalent Inhibitors of the SARS-CoV-2 Papain-Like Protease |
Pietro Delre, Fabiana Caporuscio, Michele Saviano, Giuseppe Felice Mangiatordi |
| 59 |
[GO] |
2020―Nov―05 |
Supporting SARS-CoV-2 Papain-Like Protease Drug Discovery: In silico Methods and Benchmarking |
Tamer M. Ibrahim, Muhammad I. Ismail, Matthias R. Bauer, Adnan A. Bekhit, Frank M. Boeckler |
| 60 |
[GO] |
2020―Oct―30 |
Identification of a New Potential SARS-COV-2 RNA-Dependent RNA Polymerase Inhibitor via Combining Fragment-Based Drug Design, Docking, Molecular Dynamics, and MM-PBSA Calculations |
Mahmoud A. El Hassab, Aly A. Shoun, Sara T. Al-Rashood, Tarfah Al-Warhi, Wagdy M. Eldehna |
| 61 |
[GO] |
2020―Oct―23 |
Hijacking SARS-CoV-2/ACE2 Receptor Interaction by Natural and Semi-synthetic Steroidal Agents Acting on Functional Pockets on the Receptor Binding Domain |
Adriana Carino, Federica Moraca, Bianca Fiorillo, Silvia Marchianò, Valentina Sepe, Michele Biagioli, Claudia Finamore, Silvia Bozza, Daniela Francisci, Eleonora Distrutti, Bruno Catalanotti, Angela Zampella, Stefano Fiorucci |
| 62 |
[GO] |
2020―May―27 |
Development of Point-of-Care Biosensors for COVID-19 |
Jane Ru Choi |
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