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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 19
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Research Articles

Marine algal antagonists targeting 3CL protease and spike glycoprotein of SARS-CoV-2: a computational approach for anti-COVID-19 drug discovery

Malaisamy Arunkumara Department of Genetic Engineering, School of Biotechnology, Madurai Kamaraj University, Madurai, Tamil Nadu, India;b International Centre for Genetic Engineering and Biotechnology (ICGEB), Transcription Regulation Group, New Delhi, IndiaView further author information
,
Sathaiah Gunaseelanc Department of Molecular Microbiology, School of Biotechnology, Madurai Kamaraj University, Madurai, Tamil Nadu, IndiaView further author information
,
Manikka Kubendran Aravinda Department of Genetic Engineering, School of Biotechnology, Madurai Kamaraj University, Madurai, Tamil Nadu, IndiaView further author information
,
Verma Mohankumarc Department of Molecular Microbiology, School of Biotechnology, Madurai Kamaraj University, Madurai, Tamil Nadu, IndiaView further author information
,
Patra Anupamb International Centre for Genetic Engineering and Biotechnology (ICGEB), Transcription Regulation Group, New Delhi, IndiaView further author information
,
Muniyasamy Harikrishnand Supramolecular and Organometallic Chemistry Lab, Department of Inorganic Chemistry, School of Chemistry, Madurai Kamaraj University, Madurai, Tamil Nadu, IndiaView further author information
,
Ayyanar Sivad Supramolecular and Organometallic Chemistry Lab, Department of Inorganic Chemistry, School of Chemistry, Madurai Kamaraj University, Madurai, Tamil Nadu, IndiaView further author information
,
Balasubramaniem Ashokkumara Department of Genetic Engineering, School of Biotechnology, Madurai Kamaraj University, Madurai, Tamil Nadu, IndiaCorrespondence[email protected] [email protected]
View further author information
&
Perumal Varalakshmic Department of Molecular Microbiology, School of Biotechnology, Madurai Kamaraj University, Madurai, Tamil Nadu, IndiaCorrespondence[email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0002-5420-4688View further author information
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Pages 8961-8988 | Received 30 Jul 2020, Accepted 19 Apr 2021, Published online: 20 May 2021

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Aljawharah A. Alqathama, Rizwan Ahmad, Ruba B. Alsaedi, Raghad A. Alghamdi, Ekram H. Abkar, Rola H. Alrehaly & Ashraf N. Abdalla. (2022) The vital role of animal, marine, and microbial natural products against COVID-19. Pharmaceutical Biology 60:1, pages 509-524.
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Articles from other publishers (10)

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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Yao Yang, Jiacheng Li & Fang Han. (2022) Focus on Marine Animal Safety and Marine Bioresources in Response to the SARS-CoV-2 Crisis. International Journal of Molecular Sciences 23:23, pages 15136.
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Malaisamy Arunkumar, Murugan Mahalakshmi, Vairamuthu Ashokkumar, Manikka Kubendran Aravind, Sathaiah Gunaseelan, Verma Mohankumar, Balasubramaniem Ashokkumar & Perumal Varalakshmi. (2022) Evaluation of seaweed sulfated polysaccharides as natural antagonists targeting Salmonella typhi OmpF: molecular docking and pharmacokinetic profiling. Beni-Suef University Journal of Basic and Applied Sciences 11:1.
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Sathaiah Gunaseelan, Malaisamy Arunkumar, Manikka Kubendran Aravind, Santhalingam Gayathri, Senthil Rajkeerthana, Verma Mohankumar, Balasubramaniem Ashokkumar & Perumal Varalakshmi. (2022) Probing marine brown macroalgal phlorotannins as antiviral candidate against SARS-CoV-2: molecular docking and dynamics simulation approach. Molecular Diversity 26:6, pages 3205-3224.
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Kyu-Ree Dhong, Ha-Kyoung Kwon & Hye-Jin Park. (2022) Immunostimulatory Activity of Cordyceps militaris Fermented with Pediococcus pentosaceus SC11 Isolated from a Salted Small Octopus in Cyclophosphamide-Induced Immunocompromised Mice and Its Inhibitory Activity against SARS-CoV 3CL Protease. Microorganisms 10:12, pages 2321.
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Vino Palani, Santhosh Chinnaraj, Murugesh Shanmugasundaram, Arunkumar Malaisamy, Viji Maluventhen, Vijaya Anand Arumugam, Kannan R. R. Rengasamy, Balamuralikrishnan Balasubramanian, Wen-Chao Liu & Maruthupandian Arumugam. (2022) Derivation, Functionalization of (S)-Goniothalamin from Goniothalamus wightii and Their Derivative Targets SARS-CoV-2 MPro, SPro, and RdRp: A Pharmacological Perspective. Molecules 27:20, pages 6962.
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Kokila Palani, Balamuralikrishnan Balasubramanian, Arunkumar Malaisamy, Viji Maluventhen, Vijaya Anand Arumugam, Naif Abdullah Al-Dhabi, Mariadhas Valan Arasu, Karthika Pushparaj, Wen-Chao Liu & Maruthupandian Arumugam. (2022) Sulfated Polysaccharides Derived from Hypnea valentiae and Their Potential of Antioxidant, Antimicrobial, and Anticoagulant Activities with In Silico Docking. Evidence-Based Complementary and Alternative Medicine 2022, pages 1-15.
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Arun Chandra Manivannan, Arunkumar Malaisamy, Murugesh Eswaran, Arun Meyyazhagan, Vijaya Anand Arumugam, Kannan R. R. Rengasamy, Balamuralikrishnan Balasubramanian & Wen-Chao Liu. (2022) Evaluation of Clove Phytochemicals as Potential Antiviral Drug Candidates Targeting SARS-CoV-2 Main Protease: Computational Docking, Molecular Dynamics Simulation, and Pharmacokinetic Profiling. Frontiers in Molecular Biosciences 9.
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Mohandass Kaviya, Balamuralikrishnan Balasubramanian, Kathirvel Bharathi, Arunkumar Malaisamy, Naif Abdullah Al-Dhabi, Valan Arasu Mariadhas, Arumugam Vijaya Anand & Wenchao Liu. (2022) Evaluation of Nutritional Substances and Investigation of Antioxidant and Antimicrobial Potentials of Boerhavia diffusa with in Silico Molecular Docking. Molecules 27:4, pages 1280.
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Leslie V.A.Khaloud Mohammed Alarjani, Arunkumar Malaisamy & Balamuralikrishnan Balasubramanian. (2021) Bacteriocin producing microbes with bactericidal activity against multidrug resistant pathogens. Journal of Infection and Public Health 14:12, pages 1802-1809.
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