M
Mst Sharmin Sultana Shimu
Researcher at University of Rajshahi
Publications - 5
Citations - 175
Mst Sharmin Sultana Shimu is an academic researcher from University of Rajshahi. The author has contributed to research in topics: Protease & Virtual screening. The author has an hindex of 3, co-authored 5 publications receiving 37 citations.
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Virtual screening and molecular dynamics simulation study of plant-derived compounds to identify potential inhibitors of main protease from SARS-CoV-2.
Shafi Mahmud,Mohammad Abu Raihan Uddin,Gobindo Kumar Paul,Mst Sharmin Sultana Shimu,Saiful Islam,Ekhtiar Rahman,Ariful Islam,Samiul Islam,Maria Meha Promi,Talha Bin Emran,Talha Bin Emran,Abu Saleh +11 more
TL;DR: In this paper, the authors employed a rigorous literature review pipeline to enlist 3063 compounds from more than 200 plants from the Asian region and employed a virtual screening procedure to shortlist the total compounds into 19 based on their better binding energy.
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Antiviral peptides against the main protease of SARS-CoV-2: A molecular docking and dynamics study
Shafi Mahmud,Suvro Biswas,Gobindo Kumar Paul,Mohasana Akter Mita,Shamima Afrose,Md. Robiul Hasan,Mst Sharmin Sultana Shimu,Mohammad Abu Raihan Uddin,Md. Salah Uddin,Shahriar Zaman,K. M. Kaderi Kibria,Md. Arif Khan,Talha Bin Emran,Md. Abu Saleh +13 more
TL;DR: In this paper, the authors obtained antiviral peptides obtained from the data repository of antimicrobial peptides (DRAMP) and screened their predicted tertiary structures for the ability to inhibit the main protease of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) using multiple combinatorial docking programs, including PatchDock, FireDock and ClusPro.
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Designing a multi-epitope vaccine candidate to combat MERS-CoV by employing an immunoinformatics approach.
Shafi Mahmud,Oliullah Rafi,Gobindo Kumar Paul,Maria Meha Promi,Mst Sharmin Sultana Shimu,Suvro Biswas,Talha Bin Emran,Kuldeep Dhama,Salem A. Alyami,Mohammad Ali Moni,Abu Saleh +10 more
TL;DR: In this article, a poly-epitope vaccine for the Middle East respiratory syndrome coronavirus (MERS-CoV), which causes severe respiratory disease, was designed using immunoinformatics and computational approaches.
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Prospective Role of Peptide-Based Antiviral Therapy Against the Main Protease of SARS-CoV-2
Shafi Mahmud,Gobindo Kumar Paul,Suvro Biswas,Shamima Afrose,Mohasana Akter Mita,Robiul Hasan,Mst Sharmin Sultana Shimu,Alomgir Hossain,Maria Meha Promi,Fahmida Khan Ema,Kumarappan Chidambaram,Balakumar Chandrasekaran,Ali Alqahtani,Talha Bin Emran,Abu Saleh +14 more
TL;DR: In this article, 88 peptides from the AVPdb database were modeled to carry out the docking interactions and four peptides molecules, P14, P39, P41, and P74, had more binding energy than the rest of the peptides in multiple docking programs.
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Screening of Potent Phytochemical Inhibitors Against SARS-CoV-2 Main Protease: An Integrative Computational Approach
Shafi Mahmud,Md. Robiul Hasan,Suvro Biswas,Gobindo Kumar Paul,Shamima Afrose,Mohsana Akter Mita,Mst Sharmin Sultana Shimu,Maria Meha Promi,Umme Hani,Mohamed Rahamathulla,Md. Arif Khan,Shahriar Zaman,Md. Salah Uddin,Mohammed Rahmatullah,Rownak Jahan,Ali Alqahtani,Md. Abu Saleh,Talha Bin Emran +17 more
TL;DR: In this article, the authors constructed a phytochemical dataset based on a rigorous literature review and explored the probability that various phytochemicals will bind with the main protease using a molecular docking approach.