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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 5
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Research Articles

Predictive modeling and therapeutic repurposing of natural compounds against the receptor-binding domain of SARS-CoV-2

Manoj Kumar Yadava Department of Bioinformatics, SRM University, Sonepat, Haryana, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-3219-0171View further author information
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Shaban Ahmada Department of Bioinformatics, SRM University, Sonepat, Haryana, IndiaORCID Iconhttps://orcid.org/0000-0001-9832-2830View further author information
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Khalid Razab Department of Computer Science, Jamia Millia Islamia, New Delhi, IndiaORCID Iconhttps://orcid.org/0000-0002-3646-6828View further author information
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Sunil Kumarc ICAR-Indian Agricultural Statistical Research Institute, New Delhi, IndiaORCID Iconhttps://orcid.org/0000-0001-9411-3863View further author information
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Murugesh Eswarand Plant Molecular Biology Division, International Center for Genetic Engineering and Biotechnology, New Delhi, IndiaORCID Iconhttps://orcid.org/0000-0001-7628-0772View further author information
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Mussuvir Pasha KMe Department of Studies and Research in chemistry, Vijayanagara Sri Krishnadevaraya University, Ballari, IndiaORCID Iconhttps://orcid.org/0000-0002-9092-886XView further author information
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Pages 1527-1539 | Received 21 Oct 2021, Accepted 18 Dec 2021, Published online: 03 Jan 2022

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Yogesh Singh, Shalini Jaswal, Satwinder Singh, Sant Kumar Verma & Suresh Thareja. (2023) Dual aromatase-steroid sulfatase inhibitors (DASI's) for the treatment of breast cancer: a structure guided ligand based designing approach. Journal of Biomolecular Structure and Dynamics 41:20, pages 10604-10626.
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Shaban Ahmad, Salwa Sayeed, Nagmi Bano, Kayenat Sheikh & Khalid Raza. (2023) In-silico analysis reveals Quinic acid as a multitargeted inhibitor against Cervical Cancer. Journal of Biomolecular Structure and Dynamics 41:19, pages 9770-9786.
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Saad Alghamdi, Hanadi M. Baeissa, Mohammad Azhar Kamal, Misbahuddin M. Rafeeq, Abdullah Al Zahrani, Ali Ahmed Maslum, Israa J. Hakeem, Reem S. Alazragi & Qamre Alam. (2023) Unveiling the multitargeted potency of Sodium Danshensu against cervical cancer: a multitargeted docking-based, structural fingerprinting and molecular dynamics simulation study. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-13.
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Abdulrahim A. Alzain, Fatima A. Elbadwi, Rua M. Mukhtar, Tagyedeen H. Shoaib, Nihal Abdelmoniem, Samar F. Miski, Kholoud F. Ghazawi, Marwa Alsulaimany, Shaimaa G. A. Mohamed, Bayan E. Ainousah, Hazem G. A. Hussein, Gamal A. Mohamed & Sabrin R. M. Ibrahim. Design of new Mcl-1 inhibitors for cancer using fragments hybridization, molecular docking, and molecular dynamics studies. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-13.
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Articles from other publishers (6)

Shaban Ahmad & Khalid Raza. (2023) Identification of 5-nitroindazole as a multitargeted inhibitor for CDK and transferase kinase in lung cancer: a multisampling algorithm-based structural study. Molecular Diversity.
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Maryam Amirinasab & Maryam Dehestani. (2023) Theoretical aspects of interaction of the anticancer drug cytarabine with human serum albumin. Structural Chemistry.
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Manoj Kumar Yadav, Ankita Sahu, Anu, Nehaa Kasturria, Anjali Priyadarshini, Archana Gupta, Kanika Gupta & Anil Kumar Tomar. 2023. Protein-based Therapeutics. Protein-based Therapeutics 23 47 .
Shaban Ahmad, Kayenat Sheikh, Nagmi Bano, Misbahuddin M. Rafeeq, Mohammed Razeeth Shait Mohammed, Manoj Kumar Yadav & Khalid Raza. 2023. Nature-Inspired Intelligent Computing Techniques in Bioinformatics. Nature-Inspired Intelligent Computing Techniques in Bioinformatics 293 308 .
Kayenat Sheikh, Salwa Sayeed, Aisha Asif, Mohd Faizan Siddiqui, Misbahuddin M. Rafeeq, Ankita Sahu & Shaban Ahmad. 2023. Nature-Inspired Intelligent Computing Techniques in Bioinformatics. Nature-Inspired Intelligent Computing Techniques in Bioinformatics 247 274 .
Meng Wang, Kaijian Qin & Xiaofeng Zhai. (2022) Combined Network Pharmacology, Molecular Docking, and Experimental Verification Approach to Investigate the Potential Mechanisms of Polydatin Against COVID-19. Natural Product Communications 17:4, pages 1934578X2210953.
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