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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 17
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Research Articles

COVID19-inhibitory activity of withanolides involves targeting of the host cell surface receptor ACE2: insights from computational and biochemical assays

Rajkumar Singh Kalraa Cellular and Molecular Biotechnology Research Institute, AIST-INDIA DAILAB, DBT-AIST International Center for Translational & Environmental Research (DAICENTER), National Institute of Advanced Industrial Science & Technology (AIST), JapanView further author information
,
Vipul Kumarb DAILAB, Department of Biochemical Engineering & Biotechnology, Indian Institute of Technology (IIT) Delhi, Hauz Khas, New Delhi, IndiaView further author information
,
Jaspreet Kaur Dhanjala Cellular and Molecular Biotechnology Research Institute, AIST-INDIA DAILAB, DBT-AIST International Center for Translational & Environmental Research (DAICENTER), National Institute of Advanced Industrial Science & Technology (AIST), JapanView further author information
,
Sukant Garga Cellular and Molecular Biotechnology Research Institute, AIST-INDIA DAILAB, DBT-AIST International Center for Translational & Environmental Research (DAICENTER), National Institute of Advanced Industrial Science & Technology (AIST), JapanView further author information
,
Xiaoshuai Lia Cellular and Molecular Biotechnology Research Institute, AIST-INDIA DAILAB, DBT-AIST International Center for Translational & Environmental Research (DAICENTER), National Institute of Advanced Industrial Science & Technology (AIST), JapanView further author information
,
Sunil C. Kaula Cellular and Molecular Biotechnology Research Institute, AIST-INDIA DAILAB, DBT-AIST International Center for Translational & Environmental Research (DAICENTER), National Institute of Advanced Industrial Science & Technology (AIST), JapanView further author information
,
Durai Sundarb DAILAB, Department of Biochemical Engineering & Biotechnology, Indian Institute of Technology (IIT) Delhi, Hauz Khas, New Delhi, IndiaCorrespondence[email protected]
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&
Renu Wadhwaa Cellular and Molecular Biotechnology Research Institute, AIST-INDIA DAILAB, DBT-AIST International Center for Translational & Environmental Research (DAICENTER), National Institute of Advanced Industrial Science & Technology (AIST), JapanCorrespondence[email protected]
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Pages 7885-7898 | Received 25 Jan 2021, Accepted 09 Mar 2021, Published online: 02 Apr 2021

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Zhichao Xing, Anping Su, Li Mi, Yujie Zhang, Ting He, Yuxuan Qiu, Tao Wei, Zhihui Li, Jingqiang Zhu & Wenshuang Wu. (2023) Withaferin A: A Dietary Supplement with Promising Potential as an Anti-Tumor Therapeutic for Cancer Treatment - Pharmacology and Mechanisms. Drug Design, Development and Therapy 17, pages 2909-2929.
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Saman Zare Gheshlaghi, Ebrahim Nakhaei, Ali Ebrahimi, Majid Jafari, Asiyeh Shahraki, Shiva Rezazadeh, Erfan Saberinasab, Alireza Nowroozi & Seyede Samira Hosseini. (2023) Analysis of medicinal and therapeutic potential of Withania somnifera derivatives against COVID-19. Journal of Biomolecular Structure and Dynamics 41:14, pages 6883-6893.
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Aditya Rathi, Vipul Kumar & Durai Sundar. (2023) Insights into the potential of withanolides as Phosphodiesterase-4 (PDE4D) inhibitors. Journal of Biomolecular Structure and Dynamics 41:6, pages 2108-2117.
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Dharmendra Kashyap, Shweta Jakhmola, Deeksha Tiwari, Rajesh Kumar, N. S. Hari Narayana Moorthy, Manivannan Elangovan, Natércia F. Brás & Hem Chandra Jha. (2022) Plant derived active compounds as potential anti SARS-CoV-2 agents: an in-silico study. Journal of Biomolecular Structure and Dynamics 40:21, pages 10629-10650.
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Suaidah Ramli, Yuan Seng Wu, Kalaivani Batumalaie, Rhanye Mac Guad, Ker Woon Choy, Ashok Kumar, Subash C. B. Gopinath, Md. Moklesur Rahman Sarker, Vetriselvan Subramaniyan, Mahendran Sekar, Neeraj Kumar Fuloria, Shivkanya Fuloria, Suresh V. Chinni & Gobinath Ramachawolran. (2023) Phytochemicals of Withania somnifera as a Future Promising Drug against SARS-CoV-2: Pharmacological Role, Molecular Mechanism, Molecular Docking Evaluation, and Efficient Delivery. Microorganisms 11:4, pages 1000.
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Alessandra S. Rieder, Bruna F. Deniz, Carlos Alexandre Netto & Angela T.S. Wyse. (2022) A Review of In Silico Research, SARS-CoV-2, and Neurodegeneration: Focus on Papain-Like Protease. Neurotoxicity Research 40:5, pages 1553-1569.
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Vipul Kumar, Anissa Nofita Sari, Hazna Noor Meidinna, Jaspreet Kaur Dhanjal, Chandru Subramani, Brohmomoy Basu, Sunil C. Kaul, Sudhanshu Vrati, Durai Sundar & Renu Wadhwa. (2021) Computational and in vitro experimental analyses of the anti-COVID-19 potential of Mortaparib and MortaparibPlus . Bioscience Reports 41:10.
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Humaira Zafar, Muhammad Atif, Atia-tul-Wahab & M. Iqbal Choudhary. (2021) Fucosyltransferase 2 inhibitors: Identification via docking and STD-NMR studies. PLOS ONE 16:10, pages e0257623.
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Ming-Ze Yin, Qing-Wen Zhu & Xing Lü. (2021) Parameter estimation of the incubation period of COVID-19 based on the doubly interval-censored data model. Nonlinear Dynamics 106:2, pages 1347-1358.
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Saikat Dewanjee, Jayalakshmi Vallamkondu, Rajkumar Singh Kalra, Nagaprasad Puvvada, Ramesh Kandimalla & P. Hemachandra Reddy. (2021) Emerging COVID-19 Neurological Manifestations: Present Outlook and Potential Neurological Challenges in COVID-19 Pandemic. Molecular Neurobiology 58:9, pages 4694-4715.
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Rajkumar Singh Kalra, Jaspreet Kaur Dhanjal, Avtar Singh Meena, Vishal C. Kalel, Surya Dahiya, Birbal Singh, Saikat Dewanjee & Ramesh Kandimalla. (2021) COVID-19, Neuropathology, and Aging: SARS-CoV-2 Neurological Infection, Mechanism, and Associated Complications. Frontiers in Aging Neuroscience 13.
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