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

Chemical system biology approach to identify multi-targeting FDA inhibitors for treating COVID-19 and associated health complications

Biswajit Naika Department of Biochemistry, School of Life Sciences, Central University of Rajasthan, Ajmer, India
,
Venkata Satish Kumar Mattaparthib Department of Molecular Biology and Biotechnology, Tezpur University, Assam, IndiaORCID Iconhttps://orcid.org/0000-0002-5238-753X
ORCID Icon,
Nidhi Guptaa Department of Biochemistry, School of Life Sciences, Central University of Rajasthan, Ajmer, India
,
Rupal Ojhaa Department of Biochemistry, School of Life Sciences, Central University of Rajasthan, Ajmer, India
,
Pundarikaksha Dasb Department of Molecular Biology and Biotechnology, Tezpur University, Assam, IndiaORCID Iconhttps://orcid.org/0000-0002-0720-3578
ORCID Icon,
Satyendra Singha Department of Biochemistry, School of Life Sciences, Central University of Rajasthan, Ajmer, India
,
Vijay Kumar Prajapatia Department of Biochemistry, School of Life Sciences, Central University of Rajasthan, Ajmer, IndiaORCID Iconhttps://orcid.org/0000-0001-6510-0596
ORCID Icon &
Dhaneswar Prustya Department of Biochemistry, School of Life Sciences, Central University of Rajasthan, Ajmer, IndiaCorrespondence[email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0003-0788-5473
ORCID Icon show all
Pages 9543-9567 | Received 16 Dec 2020, Accepted 10 May 2021, Published online: 01 Jun 2021

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Mohanad A. Mahgoub, Ahmed Alnaem, Mohammed Fadlelmola, Mazin Abo-idris, Alaa A. Makki, Abdelgadir A. Abdelgadir & Abdulrahim A. Alzain. (2023) Discovery of novel potential inhibitors of TMPRSS2 and Mpro of SARS‐CoV‐2 using E-pharmacophore and docking-based virtual screening combined with molecular dynamic and quantum mechanics. Journal of Biomolecular Structure and Dynamics 41:14, pages 6775-6788.
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Biswajit Naik, Nidhi Gupta, Priya Godara, Varshita Srivastava, Prateek Kumar, Rajanish Giri, Vijay Kumar Prajapati, Kailash C. Pandey & Dhaneswar Prusty. (2023) Structure-based virtual screening approach reveals natural multi-target compounds for the development of antimalarial drugs to combat drug resistance. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-25.
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Manisha Pritam, Somenath Dutta, Krishna Mohan Medicherla, Rajnish Kumar & Satarudra Prakash Singh. (2023) Computational analysis of spike protein of SARS-CoV-2 (Omicron variant) for development of peptide-based therapeutics and diagnostics. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-19.
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Articles from other publishers (6)

Satyendra Singh, Ketan Kumar, Mamta Panda, Aryan Srivastava, Amit Mishra & Vijay Kumar Prajapati. (2022) High-throughput virtual screening of small-molecule inhibitors targeting immune cell checkpoints to discover new immunotherapeutics for human diseases. Molecular Diversity 27:2, pages 729-751.
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Satyendra Singh, Priya Chauhan, Vinita Sharma, Abhishek Rao, Bajarang Vasant Kumbhar & Vijay Kumar Prajapati. (2022) Identification of multi-targeting natural antiviral peptides to impede SARS-CoV-2 infection. Structural Chemistry.
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Mamta Panda, Elora Kalita, Satyendra Singh, Ketan Kumar & Vijay Kumar Prajapati. (2022) Nanobody-peptide-conjugate (NPC) for passive immunotherapy against SARS-CoV-2 variants of concern (VoC): a prospective pan-coronavirus therapeutics. Molecular Diversity.
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Satyendra Singh & Vijay Kumar Prajapati. (2022) Exploring actinomycetes natural products to identify potential multi-target inhibitors against Leishmania donovani. 3 Biotech 12:9.
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Swati Singh, Hemanth Naick Banavath, Priya Godara, Biswajit Naik, Varshita Srivastava & Dhaneswar Prusty. (2022) Identification of antiviral peptide inhibitors for receptor binding domain of SARS-CoV-2 omicron and its sub-variants: an in-silico approach. 3 Biotech 12:9.
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Priya Chouhan, Satyendra Singh, Vinita Sharma & Vijay Kumar Prajapati. (2022) Anti-IL-10 Antibody Humanization by SDR Grafting with Enhanced Affinity to Neutralize the Adverse Response of Interleukin-10. International Journal of Peptide Research and Therapeutics 28:5.
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