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Nucleosides, Nucleotides & Nucleic Acids Volume 41, 2022 - Issue 10
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Articles

Synthesis, antimicrobial, SAR, PASS, molecular docking, molecular dynamics and pharmacokinetics studies of 5′-O-uridine derivatives bearing acyl moieties: POM study and identification of the pharmacophore sites

Nasrin S. Muniaa Department of Chemistry, Faculty of Science, University of Chittagong, Chittagong, BangladeshORCID Iconhttps://orcid.org/0000-0002-0311-9993
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Mohammed A. Hosena Department of Chemistry, Faculty of Science, University of Chittagong, Chittagong, BangladeshORCID Iconhttps://orcid.org/0000-0002-7445-8183
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Khaldun M. A. Azzamb Pharmacological and Diagnostic Research Center (PDRC), Department of Pharmaceutical Sciences, Faculty of Pharmacy, Al-Ahliyya Amman University, Amman, JordanORCID Iconhttps://orcid.org/0000-0003-4097-6991
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Mohammed Al-Ghorbanic Department of Chemistry, Faculty of Science and Arts, Ulla, Taibah University, Medina, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0002-9079-5788
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Mohammed Baashend Department of Chemistry, Science and Humanities College, Shaqra University, Shaqra, KSAORCID Iconhttps://orcid.org/0000-0003-0297-9489
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Mohammed K. Hossaine Department of Pharmacy, Faculty of Biological Science, University of Chittagong, Chittagong, BangladeshORCID Iconhttps://orcid.org/0000-0003-3462-1086
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Ferdausi Alif Department of Microbiology, Faculty of Biological Science, University of Chittagong, Chittagong, BangladeshORCID Iconhttps://orcid.org/0000-0002-7936-3909
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Shafi Mahmudg Department of Genome Science, John Curtin School of Medical Research, Australian National University, Canberra, AustraliaORCID Iconhttps://orcid.org/0000-0003-1604-8626
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Mst. S. S. Shimuh Microbiology Laboratory, Department of Genetic Engineering and Biotechnology, University of Rajshahi, Rajshahi, BangladeshORCID Iconhttps://orcid.org/0000-0003-4179-0507
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Faisal A. Almalkii Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0003-4048-1526
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Taibi B. Haddai Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah, Saudi Arabia;j Laboratory of Applied Chemistry & Environment, Faculty of Sciences, Mohammed Premier University, Oujda, MoroccoORCID Iconhttps://orcid.org/0000-0002-5633-6203
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Hamid Laaroussij Laboratory of Applied Chemistry & Environment, Faculty of Sciences, Mohammed Premier University, Oujda, MoroccoORCID Iconhttps://orcid.org/0000-0002-8502-6239
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Souad Naimik Department of Biological Sciences, Sanofi-Aventis, Vitry, France
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Sarkar M. A. Kawsara Department of Chemistry, Faculty of Science, University of Chittagong, Chittagong, BangladeshCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-7964-9117
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Pages 1036-1083 | Received 22 Mar 2022, Accepted 27 Jun 2022, Published online: 07 Jul 2022

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Mohammed A. Hosen, Faizan A. Qais, Samir Chtita, Ibrahim A. Rahman, Ahmed M. Almehdi, Ferdausi Ali, Faisal A. Almalki, Taibi B. Hadda, Hamid Laaroussi & Sarkar M. A. Kawsar. (2023) In silico and POM analysis for potential antimicrobial agents of thymidine analogs by using molecular docking, molecular dynamics and ADMET profiling. Nucleosides, Nucleotides & Nucleic Acids 42:11, pages 877-918.
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Sarkar M. A. Kawsar, Faisal A. Almalki, Taibi Ben Hadd, Hamid Laaroussi, Muhammad A. R. Khan, Mohammed A. Hosen, Shafi Mahmud, Abdelouahed Aounti, Naina M. P. Maideen, Fariba Heidarizadeh & Sameh S. M. Soliman. (2023) Potential antifungal activity of novel carbohydrate derivatives validated by POM, molecular docking and molecular dynamic simulations analyses. Molecular Simulation 49:1, pages 60-75.
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Articles from other publishers (3)

Rezan Huseen Hama Salih, Aso Hameed Hasan, Narmin Hamaamin Hussen, Farouq Emam Hawaiz, Taibi Ben Hadda, Joazaizulfazli Jamalis, Faisal A. Almalki, Adedapo S. Adeyinka, Louis-Charl C. Coetzee & Abel Kolawole Oyebamiji. (2023) Thiazole-pyrazoline hybrids as potential antimicrobial agent: Synthesis, biological evaluation, molecular docking, DFT studies and POM analysis. Journal of Molecular Structure 1282, pages 135191.
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Akshayata Naidu, Smruti Sudha Nayak, Sajitha Lulu S & Vino Sundararajan. (2023) Advances in computational frameworks in the fight against TB: The way forward. Frontiers in Pharmacology 14.
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Mohammad I. Hosen, Yousef E. Mukhrish, Ahmed Hussain Jawhari, Ismail Celik, Meryem Erol, Emad M. Abdallah, Mohammed Al-Ghorbani, Mohammed Baashen, Faisal A. Almalki, Hamid Laaroussi, Taibi Ben Hadda & Sarkar M. A. Kawsar. (2023) Design, Synthesis, In Silico and POM Studies for the Identification of the Pharmacophore Sites of Benzylidene Derivatives. Molecules 28:6, pages 2613.
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