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Moulay Ahfid El Alaouy, Marwa Alaqarbeh, Mohamed Ouabane, Hanane Zaki, Mohamed ElBouhi, Hassan Badaoui, Youness Moukhliss, Abdelouahid Sbai, Hamid Maghat, Tahar Lakhlifi & Mohammed Bouachrine. (2023) Computational Prediction of 3,5-Diaryl-1H-Pyrazole and spiropyrazolines derivatives as potential acetylcholinesterase inhibitors for alzheimer disease treatment by 3D-QSAR, molecular docking, molecular dynamics simulation, and ADME-Tox. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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Moumita Nath & Pradip Debnath. (2023) Therapeutic role of traditionally used Indian medicinal plants and spices in combating COVID-19 pandemic situation. Journal of Biomolecular Structure and Dynamics 41:12, pages 5894-5913.
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Bochra Bencheikh, Mouna Cheriet, Rayenne Djemil & Djameleddine Khatmi. (2023) In Silico Study of Selected Natural Products as SARS-CoV-2 MPro Binder: Molecular Docking and Molecular Dynamics Simulation. Polycyclic Aromatic Compounds 43:6, pages 5103-5115.
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Alexandre de Fátima Cobre, Moisés Maia Neto, Eduardo Borges de Melo, Mariana Millan Fachi, Luana Mota Ferreira, Fernanda Stumpf Tonin & Roberto Pontarolo. (2023) Naringenin-4'-glucuronide as a new drug candidate against the COVID-19 Omicron variant: a study based on molecular docking, molecular dynamics, MM/PBSA and MM/GBSA. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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Iqrar Ahmad Ansari, Bimal Debnath, Saikat Kar, Harun M. Patel, Sudhan Debnath, Magdi E.A Zaki & Pinaki Pal. (2023) Identification of potential edible spices as EGFR and EGFR mutant T790M/L858R inhibitors by structure-based virtual screening and molecular dynamics. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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Abimbola Peter Oluyori, Bolatito Eunice Olanipekun, Oluyomi Stephen Adeyemi, Godshelp Osas Egharevba, Abayomi Emmanuel Adegboyega & Oluwole Solomon Oladeji. (2023) Molecular docking, pharmacophore modelling, MD simulation and in silico ADMET study reveals bitter cola constituents as potential inhibitors of SARS-CoV-2 main protease and RNA dependent-RNA polymerase. Journal of Biomolecular Structure and Dynamics 41:4, pages 1510-1525.
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Debanjan Sen, Samhita Bhaumik, Pradip Debnath & Sudhan Debnath. (2022) Potentiality of Moringa oleifera against SARS-CoV-2: identified by a rational computer aided drug design method. Journal of Biomolecular Structure and Dynamics 40:16, pages 7517-7534.
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Sudhan Debnath, Samhita Bhaumik, Debanjan Sen & Bimal Debnath. (2022) Phytochemicals of Zingiberaceae family exhibit potentiality against SARS-CoV-2 main protease identified by a rational computer-aided drug design. Natural Product Research 36:17, pages 4557-4562.
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Mohammad Mahmoudi Gomari, Neda Rostami, Hossein Omidi-Ardali & Seyed Shahriar Arab. (2022) Insight into molecular characteristics of SARS-CoV-2 spike protein following D614G point mutation, a molecular dynamics study. Journal of Biomolecular Structure and Dynamics 40:12, pages 5634-5642.
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Dharmendra Kumar Maurya & Deepak Sharma. (2022) Evaluation of traditional ayurvedic Kadha for prevention and management of the novel Coronavirus (SARS-CoV-2) using in silico approach. Journal of Biomolecular Structure and Dynamics 40:9, pages 3949-3964.
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Articles from other publishers (19)
Abhijit Rudra Paul, Sudhan Debnath & Swapan Majumdar. (2023) Water‐SDS‐Ionic Liquid Catalytic System for the Synthesis of Pyrano‐chromenes and in‐silicio Approach to Predict Inhibitory Activity Against Mpro of SARS‐CoV‐2**. ChemistrySelect 8:4.
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Rakgadi Grace Malapela, Gloria Thupayagale‐Tshweneagae & William M. Baratedi. (2022) Use of home remedies for the treatment and prevention of coronavirus disease: An integrative review. Health Science Reports 6:1.
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Mubashar Ilyas, Shabbir Muhammad, Javed Iqbal, Saniyah Amin, Abdullah G. Al-Sehemi, H. Algarni, Saleh S. Alarfaji, Mohammad Y. Alshahrani & Khurshid Ayub. (2022) Insighting isatin derivatives as potential antiviral agents against NSP3 of COVID-19. Chemical Papers 76:10, pages 6271-6285.
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Serikova Ekaterina, Oliveira Evangelho Victor Gustavo, Kremenevskaya Marianna, Mattos Camila Ferreira, Novais Juliana Silva, Santana Marcos Vinicius, Rodrigues Carlos Rangel, Geraldo Reinaldo Barros & Castro Helena Carla. (2022) In silico phytochemicals analysis as inhibitors of the SARS-COV-2 main protease. International Journal of Pharmaceutical Sciences and Developmental Research 8:1, pages 038-045.
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Monika Bar, Urszula E. Binduga & Konrad A. Szychowski. (2022) Methods of Isolation of Active Substances from Garlic (Allium sativum L.) and Its Impact on the Composition and Biological Properties of Garlic Extracts. Antioxidants 11:7, pages 1345.
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Cécilia Hognon, Marco Marazzi & Cristina García-Iriepa. (2022) Atomistic-Level Description of the Covalent Inhibition of SARS-CoV-2 Papain-like Protease. International Journal of Molecular Sciences 23:10, pages 5855.
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Debanjan Sen, Bimal Debnath, Pradip Debnath, Sudhan Debnath, Magdi E. A. Zaki & Vijay H. Masand. (2022) Identification of potential edible mushroom as SARS-CoV-2 main protease inhibitor using rational drug designing approach. Scientific Reports 12:1.
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Sudhan Debnath, Bimal Debnath & Pradip Debnath. (2022) Carvacrol: A PLpro Inhibitor of SARS-CoV-2 Is a Natural Weapon for COVID-19. Carvacrol: A PLpro Inhibitor of SARS-CoV-2 Is a Natural Weapon for COVID-19.
Refat M. Nimer, Omar F. Khabour, Samer F. Swedan & Hassan M. Kofahi. (2022) Effect of natural products use prior to infection with COVID-19 on disease severity and hospitalization: A self-reported cross-sectional survey study. F1000Research 11, pages 639.
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Refat M. Nimer, Omar F. Khabour, Samer F. Swedan & Hassan M. Kofahi. (2022) Effect of natural products use prior to infection with COVID-19 on disease severity and hospitalization: A self-reported cross-sectional survey study. F1000Research 11, pages 639.
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Io Antonopoulou, Eleftheria Sapountzaki, Ulrika Rova & Paul Christakopoulos. (2022) Inhibition of the main protease of SARS-CoV-2 (Mpro) by repurposing/designing drug-like substances and utilizing nature’s toolbox of bioactive compounds. Computational and Structural Biotechnology Journal 20, pages 1306-1344.
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Shilpa Chatterjee, Choon-Mee Kim & Dong-Min Kim. (2021) Potential efficacy of existing drug molecules against severe fever with thrombocytopenia syndrome virus: an in silico study. Scientific Reports 11:1.
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Yuqi Zhang, Li Chen, Xiaoyu Wang, Yanyan Zhu, Yongsheng Liu, Huiyu Li & Qingjie Zhao. (2021) Interactive Mechanism of Potential Inhibitors with Glycosyl for SARS-CoV-2 by Molecular Dynamics Simulation. Processes 9:10, pages 1749.
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Sourodip Sengupta, Debina Bhattacharyya, Grishma Kasle, Souvik Karmakar, Omkar Sahu, Anirban Ganguly, Sankar Addya & Jayasri Das Sarma. (2021) Potential Immunomodulatory Properties of Biologically Active Components of Spices Against SARS-CoV-2 and Pan β-Coronaviruses. Frontiers in Cellular and Infection Microbiology 11.
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Sara Hassan Hassan Ahmed, Tímea Gonda & Attila Hunyadi. (2021) Medicinal chemistry inspired by ginger: exploring the chemical space around 6-gingerol. RSC Advances 11:43, pages 26687-26699.
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Ziqi Chen, Yiwen Lv, Huachong Xu & Li Deng. (2021) Herbal Medicine, Gut Microbiota, and COVID-19. Frontiers in Pharmacology 12.
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Isabella Romeo, Francesco Mesiti, Antonio Lupia & Stefano Alcaro. (2021) Current Updates on Naturally Occurring Compounds Recognizing SARS-CoV-2 Druggable Targets. Molecules 26:3, pages 632.
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Jean Bousquet, Wienczyslawa Czarlewski, Torsten Zuberbier, Joaquim Mullol, Hubert Blain, Jean-Paul Cristol, Rafael De La Torre, Vincent Le Moing, Nieves Pizarro Lozano, Anna Bedbrook, Ioana Agache, Cezmi A. Akdis, G. Walter Canonica, Alvaro A. Cruz, Alessandro Fiocchi, Joao A. Fonseca, Susana Fonseca, Bilun Gemicioğlu, Tari Haahtela, Guido Iaccarino, Juan Carlos Ivancevich, Marek Jutel, Ludger Klimek, Piotr Kuna, Désirée E. Larenas-Linnemann, Erik Melén, Yoshitaka Okamoto, Nikolaos G. Papadopoulos, Oliver Pfaar, Jacques Reynes, Yves Rolland, Philip W. Rouadi, Boleslaw Samolinski, Aziz Sheikh, Sanna Toppila-Salmi, Arunas Valiulis, Hak-Jong Choi, Hyun Ju Kim & Josep M. Anto. (2021) Spices to Control COVID-19 Symptoms: Yes, but Not Only…. International Archives of Allergy and Immunology 182:6, pages 489-495.
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Doni Dermawan, Bagas Adji Prabowo & Casilda Aulia Rakhmadina. (2021) In silico study of medicinal plants with cyclodextrin inclusion complex as the potential inhibitors against SARS-CoV-2 main protease (Mpro) and spike (S) receptor. Informatics in Medicine Unlocked 25, pages 100645.
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