In vitro and in silico studies of SARS-CoV-2 main protease Mpro inhibitors isolated from Helichrysum bracteatum

Gehad Abdel Wahab, Walaa S. Aboelmaaty, Mohamed Farid Lahloub and Amal Sallam

RSC Adv., 2022, 12, 18412
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Laccase catalyses phytophenol furanocyclic dimerization: Substrate specificity and diastereoselective process

Xican Li, Shuqin Liu, Jingyuan Zeng, Rongxing Cai, Chunhou Li, Ban Chen and Dongfeng Chen

Journal of Molecular Structure, 2023, 1274, 134425
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In silico molecular docking analysis and ADME prediction of cow urine derived 1-heneicosanol against some bacterial proteins

Vipin Nautiyal, Surbhi Pradhan and Ramesh Chand Dubey

Vegetos, 2023, 37, 426
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An overview of potential inhibitors targeting non-structural proteins 3 (PLpro and Mac1) and 5 (3CLpro/Mpro) of SARS-CoV-2

Fangfang Yan and Feng Gao

Computational and Structural Biotechnology Journal, 2021, 19, 4868
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Characterization of Promising Cytotoxic Metabolites from Tabebuia guayacan Hemsl.: Computational Prediction and In Vitro Testing

Seham S. El-Hawary, Rabab Mohammed, Marwa A. Taher, Sameh Fekry AbouZid, Mostafa A. Mansour, Suliman A. Almahmoud, Bader Huwaimel and Elham Amin

Plants, 2022, 11, 888
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Nanoparticles encapsulating sesame seeds (Sesamum indicum) oil: Physicochemical, antioxidant and enzymatic inhibition properties

Narimane Lammari, Mehdi Louaer, Ouahida Louaer, Chawki Bensouici, Ahmed Zermane, Abdelhamid Elaissari and Abdeslam Hassen Meniai

Journal of Drug Delivery Science and Technology, 2023, 79, 104003
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Phytochemical and in silico studies for potential constituents from Centaurium spicatum as candidates against the SARS-CoV-2 main protease and RNA-dependent RNA polymerase

Ahmed E. Allam, Mohamed E. Abouelela, Hamdy K. Assaf, Ahmed M. Sayed, Alaa M. Nafady, Mohamed A. El-Shanawany, Fumihide Takano and Tomihisa Ohta

Natural Product Research, 2022, 36, 5724
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Targeting Natural Plant Metabolites for Hunting SARS-CoV-2 Omicron BA.1 Variant Inhibitors: Extraction, Molecular Docking, Molecular Dynamics, and Physicochemical Properties Study

Heba Ali Hassan, Ahmed R. Hassan, Eslam A. R. Mohamed, Ahmad Al-Khdhairawi, Hala E. Taha, Hanan M. El-Tantawy, Iman A. M. Abdel-Rahman, Ali E. Raslan, Khaled S. Allemailem, Ahmad Almatroudi, Faris Alrumaihi, Maha A. Alshiekheid, Hafiz Muzzammel Rehman, Mahmoud M. Abdelhamid, Islam M. Abdel-Rahman and Ahmed E. Allam

CIMB, 2022, 44, 5028
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Structure-Function Characteristics of SARS-CoV-2 Proteases and Their Potential Inhibitors from Microbial Sources

Rafida Razali, Haslina Asis and Cahyo Budiman

Microorganisms, 2021, 9, 2481
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From matrix factorization to graph neural networks: Advances in computational drug repositioning

Yangyang Wang, Jihan Wang, Yanning Yang, Yufei Ren, Haotian Bai and Hui Li

Drug Discovery Today, 2025, 30, 104499
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Nasal application of sesame oil-based Anu taila as ‘biological mask’ for respiratory health during COVID-19

Bhavya Vijay, Batul Diwan, Poornima Devkumar, Prasan Shankar, Chethala N. Vishnuprasad, Gurmeet Singh, Deepshikha Kataria and Darshan Shankar

Journal of Ayurveda and Integrative Medicine, 2023, 14, 100773
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Surfactant‐Mediated Synthesis of Methylene Bridged 6‐Aminouracils: Development of a Greener Protocol, Water Remediation and Preliminary Biological Screening

Susital Mal and Subrata Das

ChemistrySelect, 2023, 8
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Association of dietary intake of polyphenols, lignans, and phytosterols with immune-stimulating microbiota and COVID-19 risk in a group of Polish men and women

Agnieszka Micek, Izabela Bolesławska, Paweł Jagielski, Kamil Konopka, Anna Waśkiewicz, Anna Maria Witkowska, Juliusz Przysławski and Justyna Godos

Front. Nutr., 2023, 10
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Studies on the Nonalkaloidal Secondary Metabolites of Hippeastrum vittatum (L’Her.) Herb. Bulbs

Marwa Fathy Khalifa, John Refaat Fahim, Ahmed E. Allam, Mai E. Shoman, Amr El Zawily, Mohamed Salah Kamel, Kuniyoshi Shimizu and Eman Zekry Attia

ACS Omega, 2023, 8, 26749
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LC-Q-TOF-MS phenolic profiling, data mining for antiviral compounds, and in silico analysis against SARS-CoV-2 in heritage-pigmented rice metabolome

Shrijana Rasaily, Ashrita C. Haldipur and N. Srividya

Food Bioscience, 2025, 63, 105613
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Formulation and in vitro characterization of nanoemulsions containing remdesivir or licorice extract: A potential subcutaneous injection for coronavirus treatment

Al Zahraa G. Al Ashmawy and Gehan F. Balata

Colloids and Surfaces B: Biointerfaces, 2024, 234, 113703
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Sesame Genomic Web Resource (SesameGWR): a well-annotated data resource for transcriptomic signatures of abiotic and biotic stress responses in sesame (Sesamum indicum L.)

Himanshu Avashthi, Ulavappa Basavanneppa Angadi, Divya Chauhan, Anuj Kumar, Dwijesh Chandra Mishra, Parimalan Rangan, Rashmi Yadav and Dinesh Kumar

Briefings in Functional Genomics, 2024, 23, 828
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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 and Dinesh Kumar

Front. Chem., 2021, 9
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Pro-Apoptotic Activity of Epi-Obtusane against Cervical Cancer: Nano Formulation, In Silico Molecular Docking, and Pharmacological Network Analysis

Omnia Hesham Abdelhafez, Islam M. Abdel-Rahman, Eman Alaaeldin, Hesham Refaat, Refat El-Sayed, Sami A. Al-Harbi, Ahmed M. Shawky, Mohamed-Elamir F. Hegazy, Alaa Y. Moustafa and Nourhan Hisham Shady

Pharmaceuticals, 2023, 16, 1578
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Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2

Kaifu Gao, Rui Wang, Jiahui Chen, Limei Cheng, Jaclyn Frishcosy, Yuta Huzumi, Yuchi Qiu, Tom Schluckbier, Xiaoqi Wei and Guo-Wei Wei

Chem. Rev., 2022, 122, 11287
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The exploration of phytocompounds theoretically combats SARS-CoV-2 pandemic against virus entry, viral replication and immune evasion

Ting-Hsu Chen, May-Jywan Tsai, Chun-Sheng Chang, Linxi Xu, Yaw-Syan Fu and Ching-Feng Weng

Journal of Infection and Public Health, 2023, 16, 42
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The Inhibitory Potential of Ferulic Acid Derivatives against the SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics, and ADMET Evaluation

Io Antonopoulou, Eleftheria Sapountzaki, Ulrika Rova and Paul Christakopoulos

Biomedicines, 2022, 10, 1787
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Antibiofilm potential of 6-methoxymellein from geranium-associated Aspergillus caespitosus endophyte against clinical isolates of dermatophytes: Phytochemical, in silico and in vitro investigation

Ahmed Hagag, Adel M. Abd El-Kader, Miada F. Abdelwahab, Eman Farouk Ahmed, Ramadan Yahia, Naglaa Ghanem, Islam M. Abdel-Rahman, Mostafa A. Fouad and Eman Maher Zahran

South African Journal of Botany, 2024, 167, 448
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Multitarget-based in silico screening from phytoactive compounds of Garcinia linii fighting toward severe acute respiratory syndrome coronavirus-2

Ting-Hsu Chen, Zi-Han Shen, May-Jywan Tsai, Ching-Feng Weng and Max K. Leong

Tzu Chi Medical Journal, 2025, 37, 275
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Agathis robusta Bark Essential Oil Effectiveness against COVID-19: Chemical Composition, In Silico and In Vitro Approaches

Maged E. Mohamed, Nora Tawfeek, Samar S. Elbaramawi and Eman Fikry

Plants, 2022, 11, 663
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Exploring the volatile metabolites of three Chorisia species: Comparative headspace GC–MS, multivariate chemometrics, chemotaxonomic significance, and anti-SARS-CoV-2 potential

John Refaat Fahim, Ahmed G. Darwish, Amr El Zawily, Jacob Wells, Mohammed A.S. Abourehab, Samar Yehia Desoukey and Eman Zekry Attia

Saudi Pharmaceutical Journal, 2023, 31, 706
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Insights for Future Pharmacology: Exploring Phytochemicals as Potential Inhibitors Targeting SARS-CoV-2 Papain-like Protease

Jawaria Jabeen, Nabeel Ahmed, Zunaira Shahzad, Maida Shahid and Taseer Ahmad

Future Pharmacology, 2024, 4, 510
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Lignans and coumarins from the stem bark of Alyxia fascicularis (Wall. ex G. Don) Benth. ex Hook. f.)

Hnin Thanda Aung, Khin Thidar Saw, Mi Mi Latt, Giovanni Vidari, Yumiko Komori and Yoshiaki Takaya

Natural Product Research, 2024, 38, 1616
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Coronavirus Infection-Associated Cell Death Signaling and Potential Therapeutic Targets

Rittibet Yapasert, Patompong Khaw-on and Ratana Banjerdpongchai

Molecules, 2021, 26, 7459
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Phenolic compounds versus SARS-CoV-2: An update on the main findings against COVID-19

Vicente Amirpasha Tirado-Kulieva, Ernesto Hernández-Martínez and Tania Jakeline Choque-Rivera

Heliyon, 2022, 8, e10702
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An investigation into the usage of black cumin derivatives against cancer and COVID-19 as the nature medicine

Faik Gökalp

Journal of Biomolecular Structure and Dynamics, 2025, 43, 4362
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Inspection on the Mechanism of SARS-CoV-2 Inhibition by Penciclovir: A Molecular Dynamic Study

Micaela Giannetti, Claudia Mazzuca, Giorgio Ripani and Antonio Palleschi

Molecules, 2022, 28, 191
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Investigating Fungi-Derived Bioactive Molecules as Inhibitor of the SARS Coronavirus Papain Like Protease: Computational Based Study

Aweke Mulu Belachew, Asheber Feyisa, Seid Belay Mohamed and Jerusalem Fekadu W/Mariam

Front. Med., 2021, 8
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Bioinformatic assay reveal the potential mechanism of Guizhi-Shaoyao-Zhimu decoction against rheumatoid arthritis and mild-to-moderate COVID-19

Yongyu Xu, Zebin Huang, Guangping Wu, Fujun Jin, Shuojia Lin, Chuang Zhang, Jie Zheng, Wenjie Liu, Jinqiang Hou and Yu-Jing Lu

Computer Methods and Programs in Biomedicine, 2023, 238, 107584
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