Rutin and flavone analogs as prospective SARS-CoV-2 main protease inhibitors: In silico drug discovery study

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Journal of Molecular Graphics and Modelling, 2021, 105, 107904
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Extraction and Application of Natural Rutin From Sophora japonica to Prepare the Novel Fluorescent Sensor for Detection of Copper Ions

Shilong Yang, Lu Sun, Zhiwen Song and Li Xu

Front. Bioeng. Biotechnol., 2021, 9
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Purification of rutin by supercritical fluid simulated moving bed chromatography

Zhongfeng Geng, Yuzhu Yang, Shuyuan Yang, Jinyi Zhou and Huisheng Lyu

Can J Chem Eng, 2022, 100, 1584
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Mechanistic Insights into the Binding of Different Positron Emission Tomography Tracers to Chronic Traumatic Encephalopathy Tau Protofibrils

Bote Qi, Jingwang Tan, Yunxiang Sun, Meng Cao, Jinghan Lin, Qingwen Zhang and Yu Zou

ACS Chem. Neurosci., 2023
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Importance of glutamine 189 flexibility in SARS-CoV-2 main protease: Lesson learned from in silico virtual screening of ChEMBL database and molecular dynamics

Mohamed A. Said, Amgad Albohy, Mohamed A Abdelrahman and Hany S. Ibrahim

European Journal of Pharmaceutical Sciences, 2021, 160, 105744
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Comparative MD Study of Inhibitory Activity of Opaganib and Adamantane‐Isothiourea Derivatives toward COVID‐19 Main Protease Mpro

Jelena Đorović Jovanović, Marko Antonijević, Ali A. El‐Emam and Zoran Marković

ChemistrySelect, 2021, 6, 8603
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Phytocompounds as potential inhibitors of SARS-CoV-2 Mpro and PLpro through computational studies

Mithun Rudrapal, Ismail Celik, Sampath Chinnam, Mohammad Azam Ansari, Johra Khan, Saad Alghamdi, Mazen Almehmadi, James H. Zothantluanga and Shubham J. Khairnar

Saudi Journal of Biological Sciences, 2022, 29, 3456
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International policies and challenges on the legalization of traditional medicine/herbal medicines in the fight against COVID-19

Yin Xiong, Min Gao, Bert van Duijn, Hoyoung Choi, Frits van Horssen and Mei Wang

Pharmacological Research, 2021, 166, 105472
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Synthesis and In Silico Investigation of Isatin‐Based Schiff Bases as Potential Inhibitors for Promising Targets against SARS‐CoV‐2

Zohreh Esam, Malihe Akhavan, Maryam Lotfi and Ahmadreza Bekhradnia

ChemistrySelect, 2022, 7
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The Aqueous Leaf Extract of M. oleifera Inhibits PEDV Replication through Suppressing Oxidative Stress-Mediated Apoptosis

Yanan Cao, Shuoshuo Zhang, Yanjie Huang, Shuai Zhang, Haifei Wang and Wenbin Bao

Animals, 2022, 12, 458
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Antiviral activity of selected plant-derived polyphenols against Varicellovirus bovinealpha1 (BoAHV-1)

Jovana Mitrovic, Verica Aleksic Sabo, Gospava Lazic and Petar Knezevic

AMB Expr, 2025, 15
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Theobroma cacao L. compounds: Theoretical study and molecular modeling as inhibitors of main SARS-CoV-2 protease

Osvaldo Yañez, Manuel Isaías Osorio, Carlos Areche, Alejandro Vasquez-Espinal, Jessica Bravo, Angélica Sandoval-Aldana, José M. Pérez-Donoso, Fernando González-Nilo, Maria João Matos, Edison Osorio, Olimpo García-Beltrán and William Tiznado

Biomedicine & Pharmacotherapy, 2021, 140, 111764
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Evaluating the Antiviral Potential of Phytocompounds from Mesua ferrea against SARS‐CoV‐2 Main Protease: Structure‐Based Virtual Screening and Molecular Dynamics Simulation Investigations

Priyanka Purohit, Partha Sarathi Sahoo, Madhusmita Panda, Kuna Kabasi, Sunil Kumar Senapati and Biswa Ranjan Meher

ChemistrySelect, 2023, 8
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A pH-driven method for liposomal encapsulation of dietary flavonoid rutin: Sustained release and enhanced bioefficacy

Priti Sengupta, Debashree Das, Sampurna Bhattacharya, Runa Sur, Adity Bose and Kamalika Sen

Food Bioscience, 2023, 52, 102392
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In silico screening of mint leaves compound (Mentha piperita L.) as a potential inhibitor of SARS-CoV-2

Pharm Educ, 2021, 21, 81
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Experimental and computational validation on the adsorption behaviour of quercetin and rutin on ion exchange resins

Anannya Kalita, Rabu Ranjan Changmai, Manabendra Sarma and Monali Dutta Saikia

Results in Surfaces and Interfaces, 2025, 18, 100377
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Potential benefits and challenges on the use of phytochemicals for obese COVID-19 patients: A review

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Docking and in silico toxicity assessment of Arthrospira compounds as potential antiviral agents against SARS-CoV-2

Léna Petit, Léa Vernès and Jean-Paul Cadoret

J Appl Phycol, 2021, 33, 1579
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An overview of potential inhibitors targeting non-structural proteins 3 (PL pro and Mac1) and 5 (3CL pro /M pro ) of SARS-CoV-2

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Comput Struct Biotechnol J, 2021, 19, 4868
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New SARS-CoV-2 Mpro Inhibitor by Ascorbic Acid: Design, Molecular Docking, Lipinski’s Rule and ADMET Analysis

Mohammad Rashid, Md Tanwir Athar, Abdulrahman Salman Alazmi, Deepak Kumar, Raj Kumar, Keun Woo Lee and Aisha Alnami

COVID, 2024, 5
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Prevention, treatment and potential mechanism of herbal medicine for Corona viruses: A review

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In silico Exploration of Inhibitors for SARS-CoV-2's Papain-Like Protease

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Front. Chem., 2021, 8
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Interaction of 8-anilinonaphthalene-1-sulfonate with SARS-CoV-2 main protease and its application as a fluorescent probe for inhibitor identification

Peerapon Deetanya, Kowit Hengphasatporn, Patcharin Wilasluck, Yasuteru Shigeta, Thanyada Rungrotmongkol and Kittikhun Wangkanont

Comput Struct Biotechnol J, 2021, 19, 3364
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Hierarchical enrichment driven ultrafiltration for rapid identification of 3-chymotrypsin-like protease inhibitors from Forsythia suspensa (Thunb.) Vahl

Liqing Wang, Menghan Chen, Xiaoyun Liu, Qihui Sun, Rong Rong and Yong Yang

Journal of Chromatography B, 2025, 1264, 124734
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Rutin Is a Low Micromolar Inhibitor of SARS-CoV-2 Main Protease 3CLpro: Implications for Drug Design of Quercetin Analogs

Bruno Rizzuti, Fedora Grande, Filomena Conforti, Ana Jimenez-Alesanco, Laura Ceballos-Laita, David Ortega-Alarcon, Sonia Vega, Hugh T. Reyburn, Olga Abian and Adrian Velazquez-Campoy

Biomedicines, 2021, 9, 375
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Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Proteins Using a Computational and Experimental Pipeline

Edmond Y. Lau, Oscar A. Negrete, W. F. Drew Bennett, Brian J. Bennion, Monica Borucki, Feliza Bourguet, Aidan Epstein, Magdalena Franco, Brooke Harmon, Stewart He, Derek Jones, Hyojin Kim, Daniel Kirshner, Victoria Lao, Jacky Lo, Kevin McLoughlin, Richard Mosesso, Deepa K. Murugesh, Edwin A. Saada, Brent Segelke, Maxwell A. Stefan, Garrett A. Stevenson, Marisa W. Torres, Dina R. Weilhammer, Sergio Wong, Yue Yang, Adam Zemla, Xiaohua Zhang, Fangqiang Zhu, Jonathan E. Allen and Felice C. Lightstone

Front. Mol. Biosci., 2021, 8
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Recent progress on drugs discovery study for treatment of COVID-19: repurposing existing drugs and current natural bioactive molecules

Ika Oktavianawati, Mardi Santoso, Mohd Fadzelly Abu Bakar, Yong-Ung Kim and Sri Fatmawati

Appl Biol Chem, 2023, 66
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Omnifarious fruit polyphenols: an omnipotent strategy to prevent and intervene diabetes and related complication?

Yao Chen, Xuejiao Qie, Wei Quan, Maomao Zeng, Fang Qin, Jie Chen, Benu Adhikari and Zhiyong He

Critical Reviews in Food Science and Nutrition, 2023, 63, 4288
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A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics

Jonas Gossen, Simone Albani, Anton Hanke, Benjamin P. Joseph, Cathrine Bergh, Maria Kuzikov, Elisa Costanzi, Candida Manelfi, Paola Storici, Philip Gribbon, Andrea R. Beccari, Carmine Talarico, Francesca Spyrakis, Erik Lindahl, Andrea Zaliani, Paolo Carloni, Rebecca C. Wade, Francesco Musiani, Daria B. Kokh and Giulia Rossetti

ACS Pharmacol. Transl. Sci., 2021, 4, 1079
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Halogenated Baicalein as a Promising Antiviral Agent toward SARS-CoV-2 Main Protease

Kowit Hengphasatporn, Patcharin Wilasluck, Peerapon Deetanya, Kittikhun Wangkanont, Warinthorn Chavasiri, Peerapat Visitchanakun, Asada Leelahavanichkul, Wattamon Paunrat, Siwaporn Boonyasuppayakorn, Thanyada Rungrotmongkol, Supot Hannongbua and Yasuteru Shigeta

J. Chem. Inf. Model., 2022, 62, 1498
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A computational study of cooperative binding to multiple SARS-CoV-2 proteins

Jianing Li, Kyle T. McKay, Jacob M. Remington and Severin T. Schneebeli

Sci Rep, 2021, 11
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Potential COVID-19 Therapies from Computational Repurposing of Drugs and Natural Products against the SARS-CoV-2 Helicase

Sakshi Piplani, Puneet Singh, David A. Winkler and Nikolai Petrovsky

IJMS, 2022, 23, 7704
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Rutin Modulates MAPK Pathway Differently from Quercetin in Angiotensin II-Induced H9c2 Cardiomyocyte Hypertrophy

Hawa Nordin Siti, Juriyati Jalil, Ahmad Yusof Asmadi and Yusof Kamisah

IJMS, 2021, 22, 5063
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Identification of possible SARS-CoV-2 main protease inhibitors: in silico molecular docking and dynamic simulation studies

Aniruddhya Mukherjee, Khushhali Menaria Pandey, Krishna Kumar Ojha and Sumanta Kumar Sahu

Beni-Suef Univ J Basic Appl Sci, 2023, 12
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Rutin: A Potential Antiviral for Repurposing as a SARS-CoV-2 Main Protease (Mpro) Inhibitor

Pawan K. Agrawal, Chandan Agrawal and Gerald Blunden

Natural Product Communications, 2021, 16
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Structure-Based Virtual Identification of Natural Inhibitors of SARS-CoV-2 and its Delta and Omicron Variant Proteins

Abdullah R Alanzi, Mohammad K Parvez and Mohammed S Al-Dosari

Future Virol., 2023, 18, 421
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Semi-Synthesis of N-Aryl Amide Analogs of Piperine from Piper nigrum and Evaluation of Their Antitrypanosomal, Antimalarial, and Anti-SARS-CoV-2 Main Protease Activities

Rattanaporn Wansri, Aye Chan Khine Lin, Jutharat Pengon, Sumalee Kamchonwongpaisan, Nitipol Srimongkolpithak, Roonglawan Rattanajak, Patcharin Wilasluck, Peerapon Deetanya, Kittikhun Wangkanont, Kowit Hengphasatporn, Yasuteru Shigeta, Jatupol Liangsakul, Aphinya Suroengrit, Siwaporn Boonyasuppayakorn, Taksina Chuanasa, Wanchai De-eknamkul, Supot Hannongbua, Thanyada Rungrotmongkol and Supakarn Chamni

Molecules, 2022, 27, 2841
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First study on in vitro antiviral and virucidal effects of flavonoids against feline infectious peritonitis virus at the early stage of infection

Chanittha Triratapiban, Varanya Lueangaramkul, Nantawan Phecharat, Achiraya Pantanam, Porntippa Lekcharoensuk and Sirin Theerawatanasirikul

Vet World, 2023, 618
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A systems pharmacology framework for developing Ayurveda herbal formulations against COVID-19

L. Thamanna, S. Saranya and P. Chellapandi

The Microbe, 2025, 8, 100442
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