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Bhavika Batra, Suchetha Srinivasan, Santhana Gopalakrishnan Gopalakrishnan, Chirag N. Patel, Vikas Kumar, Anuradha Sourirajan & Kamal Dev. (2023) Molecular insights into the interaction of eighteen different variants of SARS-CoV-2 spike proteins with sixteen therapeutically important phytocompounds: in silico approach. Journal of Biomolecular Structure and Dynamics 41:22, pages 12880-12907.
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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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Duaa Ahmad Khan, Syed Damin Abbas Hamdani, Sahar Iftikhar, Sohaib Zafar Malik, Najam-us-Sahar Sadaf Zaidi, Alvina Gul, Mustafeez Mujtaba Babar, Munir Ozturk, Bengu Turkyilmaz Unal & Tuba Gonenc. (2022) Pharmacoinformatics approaches in the discovery of drug-like antimicrobials of plant origin. Journal of Biomolecular Structure and Dynamics 40:16, pages 7612-7628.
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Articles from other publishers (15)
Ahmed S. M. Al-Janabi, Amin O. Elzupir, Mortaga M. Abou-Krisha & Tarek A. Yousef. (2023) New Dual Inhibitors of SARS-CoV-2 Based on Metal Complexes with Schiff-Base 4-Chloro-3-Methyl Phenyl Hydrazine: Synthesis, DFT, Antibacterial Properties and Molecular Docking Studies. Inorganics 11:2, pages 63.
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Yijing Pu, Luyao Chen, Xu He, Yuxia Ma, Jiankang Cao & Weibo Jiang. (2023) Potential beneficial effects of functional components of edible plants on COVID-19: Based on their anti-inflammatory and inhibitory effect on SARS-CoV-2. Food Innovation and Advances 2:1, pages 44-59.
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Neli Vilhelmova, Ivanka Nikolova, Kaloyan D. Georgiev & Iliya J. Slavov. (2022) In vitro antiviral activities of fruit extract from Lycium barbarum and methylxanthines extracted from Pu-erh and Bancha tea leaves. Folia Medica 64:5, pages 817-823.
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Hajo Idriss, Babeker Siddig, Pamela González Maldonado, H. M. Elkhair, A. I. Alakhras, Emad M. Abdallah, Pablo Hernán Sotelo Torres & Amin O. Elzupir. (2022) Phytochemical Discrimination, Biological Activity and Molecular Docking of Water-Soluble Inhibitors from Saussurea costus Herb against Main Protease of SARS-CoV-2. Molecules 27:15, pages 4908.
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Anna Woziwodzka, Marta Krychowiak-Maśnicka, Grzegorz Gołuński, Anna Łosiewska, Agnieszka Borowik, Dariusz Wyrzykowski & Jacek Piosik. (2022) New Life of an Old Drug: Caffeine as a Modulator of Antibacterial Activity of Commonly Used Antibiotics. Pharmaceuticals 15:7, pages 872.
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Bárbara Longhini Gonzalez, Natalia Castelhano de Oliveira, Mariane Roberta Ritter, Fernanda Stumpf Tonin, Eduardo Borges Melo, Andréia Cristina Conegero Sanches, Fernando Fernandez‐Llimos, Marcus Vinícius Petruco, João Carlos Palazzo de Mello, Danielly Chierrito & Daniela Cristina de Medeiros Araújo. (2022)
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Rageh K. Hussein, Ghada Khouqeer, Ahmed M. Alkaoud & Ahmed M. El-Khayatt. (2022) Probing the Action of Screened Anticancer Triazole–Tetrazole Derivatives Against COVID-19 Using Molecular Docking and DFT Investigations. Natural Product Communications 17:5, pages 1934578X2210939.
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Akira Kio Valdorea Kikuchi, Shealtiel William Sta. Maria Chan, Ryan Christian Mailem, Marineil Carillo Gomez & Lemmuel Lara Tayo. (2022) In silico investigation of oxindole alkaloids from Uncaria perrottetii and Uncaria lanosa f. philippinensis for COVID-19 therapy: binding site prediction and molecular docking. In silico investigation of oxindole alkaloids from Uncaria perrottetii and Uncaria lanosa f. philippinensis for COVID-19 therapy: binding site prediction and molecular docking.
Luis Montaño, Bettina Sommer, Juan Gomez-Verjan, Genaro Morales-Paoli, Gema Ramírez-Salinas, Héctor Solís-Chagoyán, Zuly Sanchez-Florentino, Eduardo Calixto, Gloria Pérez-Figueroa, Rohan Carter, Ruth Jaimez-Melgoza, Bianca Romero-Martínez & Edgar Flores-Soto. (2022) Theophylline: Old Drug in a New Light, Application in COVID-19 through Computational Studies. International Journal of Molecular Sciences 23:8, pages 4167.
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Rajan Rolta, Deeksha Salaria, Bhanu Sharma, Oladoja Awofisayo, Olatomide A. Fadare, Sonum Sharma, Chirag N. Patel, Vikas Kumar, Anuradha Sourirajan, David J. Baumler & Kamal Dev. (2022) Methylxanthines as Potential Inhibitor of SARS-CoV-2: an In Silico Approach. Current Pharmacology Reports 8:2, pages 149-170.
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Amin Osman Elzupir. (2021) Molecular Docking and Dynamics Investigations for Identifying Potential Inhibitors of the 3-Chymotrypsin-like Protease of SARS-CoV-2: Repurposing of Approved Pyrimidonic Pharmaceuticals for COVID-19 Treatment. Molecules 26:24, pages 7458.
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Prem Prakash Sharma, Meenakshi Bansal, Aaftaab Sethi, Poonam, Lindomar Pena, Vijay Kumar Goel, Maria Grishina, Shubhra Chaturvedi, Dhruv Kumar & Brijesh Rathi. (2021) Computational methods directed towards drug repurposing for COVID-19: advantages and limitations. RSC Advances 11:57, pages 36181-36198.
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Marianna Caterino, Michele Costanzo, Roberta Fedele, Armando Cevenini, Monica Gelzo, Alessandro Di Minno, Immacolata Andolfo, Mario Capasso, Roberta Russo, Anna Annunziata, Cecilia Calabrese, Giuseppe Fiorentino, Maurizio D’Abbraccio, Chiara Dell’Isola, Francesco Fusco, Roberto Parrella, Gabriella Fabbrocini, Ivan Gentile, Giuseppe Castaldo & Margherita Ruoppolo. (2021) The Serum Metabolome of Moderate and Severe COVID-19 Patients Reflects Possible Liver Alterations Involving Carbon and Nitrogen Metabolism. International Journal of Molecular Sciences 22:17, pages 9548.
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Nairah Noor, Adil Gani, Asir Gani, Asima Shah & Zanoor ul Ashraf. (2021) Exploitation of polyphenols and proteins using nanoencapsulation for anti-viral and brain boosting properties – Evoking a synergistic strategy to combat COVID-19 pandemic. International Journal of Biological Macromolecules 180, pages 375-384.
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Bianca S. Romero-Martínez, Luis M. Montaño, Héctor Solís-Chagoyán, Bettina Sommer, Gemma Lizbeth Ramírez-Salinas, Gloria E. Pérez-Figueroa & Edgar Flores-Soto. (2021) Possible Beneficial Actions of Caffeine in SARS-CoV-2. International Journal of Molecular Sciences 22:11, pages 5460.
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