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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 8
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Research Articles

Computational investigation for identification of potential phytochemicals and antiviral drugs as potential inhibitors for RNA-dependent RNA polymerase of COVID-19

Jitender SinghPost Graduate Institute of Medical Education and Research, Chandigarh, IndiaView further author information
,
Deepti MalikPost Graduate Institute of Medical Education and Research, Chandigarh, IndiaView further author information
&
Ashvinder RainaPost Graduate Institute of Medical Education and Research, Chandigarh, IndiaCorrespondence[email protected]
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Pages 3492-3507 | Received 27 May 2020, Accepted 03 Nov 2020, Published online: 17 Nov 2020

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Arushi Chauhan, Pramod K. Avti, Nishant Shekhar, Manisha Prajapat, Phulen Sarma, Namrata Sangwan, Jitender Singh, Anusuya Bhattacharyya, Subodh Kumar, Hardeep Kaur, Saurabh Sharma, Ajay Prakash & Bikash Medhi. (2022) An insight into the simulation directed understanding of the mechanism in SARS CoV-2 N-CTD, dimer integrity, and RNA-binding: Identifying potential antiviral inhibitors. Journal of Biomolecular Structure and Dynamics 40:24, pages 13912-13924.
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Shruti Pyasi, Nisha Amarnath Jonniya, Md Fulbabu Sk, Debasis Nayak & Parimal Kar. (2022) Finding potential inhibitors against RNA-dependent RNA polymerase (RdRp) of bovine ephemeral fever virus (BEFV): an in-silico study. Journal of Biomolecular Structure and Dynamics 40:20, pages 10403-10421.
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Articles from other publishers (12)

Rahadian Zainul, Viol Dhea Kharisma, Pauline Ciuputri, Arif Nur Muhammad Ansori, Mochammad Aqilah Herdiansyah, Sukma Sahadewa & Fara Disa Durry. (2024) Antiretroviral activity from elderberry (<i>Sambucus nigra</i> L.) flowers against HIV-2 infection via reverse transcriptase inhibition: a viroinformatics study. Healthcare in Low-resource Settings.
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Setareh Azarkar, Masoud Abedi, Ali Sheikh Olya Lavasani, Atefeh Heidar Ammameh, Fatemeh Goharipanah, Kimiya Baloochi, Hasan Bakhshi & Amirsajad Jafari. (2024) Curcumin as a natural potential drug candidate against important zoonotic viruses and prions: A narrative review. Phytotherapy Research 38:6, pages 3080-3121.
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Giada Ciardullo, Angela Parise, Mario Prejanò & Tiziana Marino. (2024) Viral RNA Replication Suppression of SARS-CoV-2: Atomistic Insights into Inhibition Mechanisms of RdRp Machinery by ddhCTP. Journal of Chemical Information and Modeling 64:5, pages 1593-1604.
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Jitender Singh, Pramod K. Avti, Krishan L. Khanduja, Radhika Dhawan, Namrata Sangwan & Arushi Chauhan. (2023) Novel Specific SARS-CoV-2 miRNAs Targeting Human Genes Involved in COVID-19 Infection and Their Regulation by Bemcentinib and Zavegepant: A Promising Evidence for RNA-Based Repurposing Therapeutic Strategy. Journal of Computational Biophysics and Chemistry 23:02, pages 271-297.
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Marian Vincenzi, Flavia Anna Mercurio & Marilisa Leone. (2023) Looking for SARS-CoV-2 Therapeutics Through Computational Approaches. Current Medicinal Chemistry 30:28, pages 3158-3214.
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Omkar Pokharkar, Harshavardhan Anumolu, Grigory V. Zyryanov & Mikhail V. Tsurkan. (2023) Natural Products from Red Algal Genus Laurencia as Potential Inhibitors of RdRp and nsp15 Enzymes of SARS-CoV-2: An In Silico Perspective. Microbiology Research 14:3, pages 1020-1048.
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Dylan Brunt, Phillip M. Lakernick & Chun Wu. (2022) Discovering new potential inhibitors to SARS-CoV-2 RNA dependent RNA polymerase (RdRp) using high throughput virtual screening and molecular dynamics simulations. Scientific Reports 12:1.
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Shilpi Pathak, Neetu Agrawal & Ahsas Goyal. (2022) A Comprehensive Review on In Silico-predicted Potential Phytochemicals against SARS-CoV-2: Food for Thought for Researchers. Letters in Organic Chemistry 19:11, pages 931-957.
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Chattarin Ruchawapol, Wen-Wei Fu & Hong-Xi Xu. (2022) A review on computational approaches that support the researches on traditional Chinese medicines (TCM) against COVID-19. Phytomedicine 104, pages 154324.
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Ayushman Gadnayak, Budheswar Dehury, Ananya Nayak, Sudipta Jena, Ambika Sahoo, Pratap Chandra Panda, Asit Ray & Sanghamitra Nayak. (2022) ‘Mechanistic insights into 5-lipoxygenase inhibition by active principles derived from essential oils of Curcuma species: Molecular docking, ADMET analysis and molecular dynamic simulation study. PLOS ONE 17:7, pages e0271956.
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Muhammed Majeed, Kalyanam Nagabhushanam, Kalpesh Shah & Lakshmi Mundkur. (2021) A Randomized, Double-Blind, Placebo-Controlled Study to Assess the Efficacy and Safety of a Nutritional Supplement (ImmuActiveTM) for COVID-19 Patients. Evidence-Based Complementary and Alternative Medicine 2021, pages 1-9.
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Jitender Singh, Ashvinder Raina, Namrata Sangwan, Arushi Chauhan, Krishan L. Khanduja & Pramod K. Avti. (2021) Identification of homologous human miRNAs as antivirals towards COVID‐19 genome. ADVANCES IN CELL AND GENE THERAPY 4:4.
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