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Journal of Biomolecular Structure and Dynamics Volume 42, 2024 - Issue 5
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Research Articles

Identification of potential edible spices as EGFR and EGFR mutant T790M/L858R inhibitors by structure-based virtual screening and molecular dynamics

Iqrar Ahmad Ansaria Department of Pharmaceutical Chemistry, Prof. Ravindra Nikam College of Pharmacy, Gondur, Dhule, Maharashtra, India;b Division of Computer-Aided Drug Design, Department of Pharmaceutical Chemistry, R. C. Patel Institute of Pharmaceutical Education and Research, Shirpur (Dhule), Maharashtra, IndiaORCID Iconhttps://orcid.org/0000-0002-7697-9572View further author information
ORCID Icon,
Bimal Debnathc Department of Forestry and Biodiversity, Tripura University, Suryamaninagar, Tripura, IndiaView further author information
,
Saikat Kard Department of Obstetrics and Gynecology, Agartala Govt. Medical College, Tripura, IndiaView further author information
,
Harun M. Patelb Division of Computer-Aided Drug Design, Department of Pharmaceutical Chemistry, R. C. Patel Institute of Pharmaceutical Education and Research, Shirpur (Dhule), Maharashtra, IndiaView further author information
,
Sudhan Debnathe Department of Chemistry, Netaji Subhas Mahavidyalaya, Udaipur, Tripura, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-3913-9048View further author information
ORCID Icon,
Magdi E.A Zakif Department of Chemistry, Imam Mohammad Ibn Saud Islamic University, Faculty of Science, Riyadh, Saudi ArabiaView further author information
&
Pinaki Palg Department of Physics, RamkrishnaMahavidyalay, Unokoti, Tripura, IndiaView further author information
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Pages 2464-2481 | Received 15 Nov 2022, Accepted 14 Apr 2023, Published online: 22 Jun 2023

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Kumari Swati, Sudhir Rama Varma, R. P. Parameswari, Siva Prasad Panda, Mohit Agrawal, Anand Prakash, Dhruv Kumar & Prasoon Agarwal. Computational exploration of FOXM1 inhibitors for glioblastoma: an integrated virtual screening and molecular dynamics simulation study. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-19.
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Noor Zafirah Ismail, Melati Khairuddean, Sadiq Abubakar & Hasni Arsad. Network pharmacology, molecular docking and molecular dynamics simulation of chalcone scaffold-based compounds targeting breast cancer receptors. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-16.
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Dilip C. Kanjariya, Hem N. Naik, Meet J. Sherashiya, Yogesh T. Naliapara, Iqrar Ahmad, Harun Patel, Dhanji Rajani & Smita Jauhari. α-Amylase and mycobacterium-TB H37Rv antagonistic efficacy of novel pyrazole-coumarin hybrids: an in vitro and in silico investigation. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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