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Topical Section: Molecular Docking in Drug Discovery

Published Papers(4)

Research article
In-vitro biological activity and in-silico studies of some volatile phytochemicals from the ethanol extract of Eugenia uniflora
Abdulrahman Mahmoud Dogara,  Ateeq Ahmed Al-Zahrani,  Sarwan W. Bradosty,  Saber W. Hamad,  Aisha Abdullahi Mahmud,  Hussain D. Almalki,  Mustapha Abdullahi,  Abubakar Abdullahi Lema,  Hasan Nudin Nur Fatihah
2024, Volume 11, Issue 3: 303-321. doi: 10.3934/molsci.2024018
Abstract HTML PDF Viewed (1691)
Research article
2D-QSAR and molecular docking study on nitrofuran analogues as antitubercular agents
Smriti Sharma,  Brij K. Sharma,  Surabhi Jain,  Anubhav Rana
2024, Volume 11, Issue 1: 1-20. doi: 10.3934/molsci.2024001
Abstract HTML PDF Viewed (2280)
Research article
Repurposed drug molecules targeting NSP12 protein of SARS-CoV-2: An in-silico study
Bhawna Sharma,  Bennet Angel,  Vankadoth Umakanth Naik,  Annette Angel,  Vinod Joshi,  BM Shareef,  Neha Singh,  Ambreen Shafaat Khan,  Poorna Khaneja,  Shilpa Barthwal,  Ramesh Joshi,  Nuzhat Maqbool Peer,  Kiran Yadav,  Komal Tomar,  Satendra Pal Singh
2023, Volume 10, Issue 4: 322-342. doi: 10.3934/molsci.2023019
Abstract HTML PDF Viewed (1658)
Research article
Molecular docking and dynamics studies show: Phytochemicals from Papaya leaves extracts as potential inhibitors of SARS–CoV–2 proteins targets and TNF–alpha and alpha thrombin human targets for combating COVID-19
Mohd Shukri Abd Shukor,  Mohd Yunus Abd Shukor
2023, Volume 10, Issue 3: 213-262. doi: 10.3934/molsci.2023015
Abstract HTML PDF Cited (2) Viewed (2525)
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