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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 6
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Research Articles

Deciphering underlying mechanism of Sars-CoV-2 infection in humans and revealing the therapeutic potential of bioactive constituents from Nigella sativa to combat COVID19: in-silico study

Ruchi Jakhmola Mania Proteomic & Translational Research Lab, Centre for Medical Biotechnology, Amity Institute of Biotechnology, Amity University Uttar Pradesh, Noida, IndiaORCID Iconhttps://orcid.org/0000-0002-8404-9375View further author information
ORCID Icon,
Nikita Sehgala Proteomic & Translational Research Lab, Centre for Medical Biotechnology, Amity Institute of Biotechnology, Amity University Uttar Pradesh, Noida, IndiaView further author information
,
Nitu Dograa Proteomic & Translational Research Lab, Centre for Medical Biotechnology, Amity Institute of Biotechnology, Amity University Uttar Pradesh, Noida, IndiaView further author information
,
Shikha Saxenab Amity Institute of Pharmacy, Amity University Uttar Pradesh, Noida, IndiaView further author information
&
Deepshikha Pande Katarea Proteomic & Translational Research Lab, Centre for Medical Biotechnology, Amity Institute of Biotechnology, Amity University Uttar Pradesh, Noida, IndiaCorrespondence[email protected]
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Pages 2417-2429 | Received 19 May 2020, Accepted 15 Oct 2020, Published online: 28 Oct 2020

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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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Mohammad Reza Khazdair, Shoukouh Ghafari & Mahmood Sadeghi. (2021) Possible therapeutic effects of Nigella sativa and its thymoquinone on COVID-19. Pharmaceutical Biology 59:1, pages 694-701.
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Articles from other publishers (12)

Shila Neel, Abhishek Mandal, Anirban Dutta, Supradip Saha, Amrita Das, Gautam Chawla & Aditi Kundu. (2023) Response surface methodology guided process optimizations, modeling and biofunctional analysis of phytochemicals from Nigella sativa seeds as a potential antifungal agent. Industrial Crops and Products 199, pages 116695.
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Soheila Bafandeh, Ehsaneh Khodadadi, Khudaverdi Ganbarov, Mohammad Asgharzadeh, Şükran Köse & Hossein Samadi Kafil. (2023) Natural Products as a Potential Source of Promising Therapeutics for COVID-19 and Viral Diseases. Evidence-Based Complementary and Alternative Medicine 2023, pages 1-15.
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Wen‐Wu Li. (2023) Dietary phytochemicals against COVID‐19: A focus on thymoquinone. eFood 4:2.
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Chia Siang Kow, Dinesh Sangarran Ramachandram & Syed Shahzad Hasan. (2023) The effect of Nigella sativa on the risk of mortality in patients with COVID ‐19: A systematic review and meta‐analysis of randomized trials . Phytotherapy Research.
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Naina Mohamed Pakkir Maideen, Rajkapoor Balasubramanian, Mirunalini Gobinath, Mohamed Rafiullah & Sudha Muthusamy. (2023) Therapeutic Potentials of Black Seeds (Nigella sativa) in the Management of COVID-19 -A Review of Clinical and In-silico Studies. Anti-Infective Agents 21:1, pages 14-23.
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Awatif A. Hendi, Promy Virk, Manal A. Awad, Mai Elobeid, Khalid M. O. Ortashi, Meznah M. Alanazi, Fatemah H. Alkallas, Maha Mohammad Almoneef & Mohammed Aly Abdou. (2022) In Silico Studies on Zinc Oxide Based Nanostructured Oil Carriers with Seed Extracts of Nigella sativa and Pimpinella anisum as Potential Inhibitors of 3CL Protease of SARS-CoV-2. Molecules 27:13, pages 4301.
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Mohd Imran, Shah Alam Khan, Abida, Mohammed Kanan Alshammari, Saif M. Alkhaldi, Fayez Nafea Alshammari, Mehnaz Kamal, Ozair Alam, Syed Mohammed Basheeruddin Asdaq, A. Khuzaim Alzahrani & Shahamah Jomah. (2022) Nigella sativa L. and COVID-19: A Glance at The Anti-COVID-19 Chemical Constituents, Clinical Trials, Inventions, and Patent Literature. Molecules 27:9, pages 2750.
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Snehal Kashid, Ashish Suttee, Prasad Kadam, Gopal Lal Khatik & Ramesh Kasarla. (2022) An In- Silico Studies for Immunomodulatory Potential of Phytoconstituents from a Naturally Occurring Herb Nigella Sativa. Pharmacophore 13:5, pages 14-26.
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Padmavathi Thiyagarajan, Senthamilselvi Sathiamoorthy, Shyam Sundar Santra, Rifaqat Ali, Vediyappan Govindan, Samad Noeiaghdam & Juan J. Nieto. (2021) Free and Forced Convective Flow in Pleural Fluid with Effect of Injection between Different Permeable Regions. Coatings 11:11, pages 1313.
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Syed Mohd Danish Rizvi, Talib Hussain, Afrasim Moin, Sheshagiri R. Dixit, Subhankar P. Mandal, Mohd Adnan, Qazi Mohammad Sajid Jamal, Dinesh C. Sharma, Abulrahman Sattam Alanazi & Rahamat Unissa. (2021) Identifying the Most Potent Dual-Targeting Compound(s) against 3CLprotease and NSP15exonuclease of SARS-CoV-2 from Nigella sativa: Virtual Screening via Physicochemical Properties, Docking and Dynamic Simulation Analysis. Processes 9:10, pages 1814.
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Md. Abdul Hannan, Md. Ataur Rahman, Abdullah Al Mamun Sohag, Md. Jamal Uddin, Raju Dash, Mahmudul Hasan Sikder, Md. Saidur Rahman, Binod Timalsina, Yeasmin Akter Munni, Partha Protim Sarker, Mahboob Alam, Md. Mohibbullah, Md. Nazmul Haque, Israt Jahan, Md. Tahmeed Hossain, Tania Afrin, Md. Mahbubur Rahman, Md. Tahjib-Ul-Arif, Sarmistha Mitra, Diyah Fatimah Oktaviani, Md Kawsar Khan, Ho Jin Choi, Il Soo Moon & Bonglee Kim. (2021) Black Cumin (Nigella sativa L.): A Comprehensive Review on Phytochemistry, Health Benefits, Molecular Pharmacology, and Safety. Nutrients 13:6, pages 1784.
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Salar Hafez Ghoran, Mohamed El-Shazly, Nazim Sekeroglu & Anake Kijjoa. (2021) Natural Products from Medicinal Plants with Anti-Human Coronavirus Activities. Molecules 26:6, pages 1754.
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