Thioguanine-based DENV-2 NS2B/NS3 protease inhibitors: Virtual screening, synthesis, biological evaluation and molecular modelling

• Maywan Hariono,

  Roles Investigation, Methodology, Validation, Visualization, Writing – original draft

  Affiliations School of Pharmaceutical Sciences, Universiti Sains Malaysia, Minden, Pulau Pinang, Malaysia, Faculty of Pharmacy, Sanata Dharma University, Maguwoharjo, Sleman, Yogyakarta, Indonesia

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• Sy Bing Choi ,

  Contributed equally to this work with: Sy Bing Choi, Ros Fatihah Roslim, Mohamed Sufian Nawi

  Roles Investigation, Methodology, Validation, Visualization, Writing – original draft

  Affiliations School of Pharmaceutical Sciences, Universiti Sains Malaysia, Minden, Pulau Pinang, Malaysia, School of Data Sciences, Perdana University, Blok B and d1, MARDI Complex, Jalan MAEPS Perdana, Serdang, Selangor

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• Ros Fatihah Roslim ,

  Contributed equally to this work with: Sy Bing Choi, Ros Fatihah Roslim, Mohamed Sufian Nawi

  Roles Investigation, Methodology

  Affiliation School of Pharmaceutical Sciences, Universiti Sains Malaysia, Minden, Pulau Pinang, Malaysia

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• Mohamed Sufian Nawi ,

  Contributed equally to this work with: Sy Bing Choi, Ros Fatihah Roslim, Mohamed Sufian Nawi

  Roles Investigation, Methodology

  Affiliations School of Pharmaceutical Sciences, Universiti Sains Malaysia, Minden, Pulau Pinang, Malaysia, Department of Pharmaceutical Chemistry, Kulliyah of Pharmacy, International Islamic University Malaysia, Kuantan, Pahang, Malaysia

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• Mei Lan Tan,

  Roles Supervision

  Affiliation Advanced Medical and Dental Institute, Universiti Sains Malaysia, Bertam, Pulau Pinang, Malaysia

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• Ezatul Ezleen Kamarulzaman,

  Roles Funding acquisition

  Affiliation School of Pharmaceutical Sciences, Universiti Sains Malaysia, Minden, Pulau Pinang, Malaysia

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• Nornisah Mohamed,

  Roles Writing – review & editing

  Affiliation School of Pharmaceutical Sciences, Universiti Sains Malaysia, Minden, Pulau Pinang, Malaysia

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• Rohana Yusof,

  Roles Supervision

  Affiliation Department of Molecular Medicine, Faculty of Medicine, Universiti Malaya, Kuala Lumpur, Malaysia

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• Shatrah Othman,

  Roles Supervision

  Affiliation Department of Chemistry, Faculty of Science, Universiti Malaya, Kuala Lumpur, Malaysia

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• Noorsaadah Abd Rahman,

  Roles Supervision, Writing – review & editing

  Affiliation Department of Chemistry, Faculty of Science, Universiti Malaya, Kuala Lumpur, Malaysia

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• Rozana Othman,

  Roles Supervision, Writing – review & editing

  Affiliation Department of Pharmacy, Faculty of Medicine, Universiti Malaya, Kuala Lumpur, Malaysia

  http://orcid.org/0000-0002-8260-9252

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• Habibah A. Wahab

  Roles Conceptualization, Funding acquisition, Methodology, Project administration, Resources, Supervision, Validation, Writing – review & editing

  * E-mail: habibahw@usm.my, bibwahab@gmail.com

  Affiliations School of Pharmaceutical Sciences, Universiti Sains Malaysia, Minden, Pulau Pinang, Malaysia, Malaysian Institute of Pharmaceuticals and Nutraceuticals, Ministry of Science, Technology and Innovation, Halaman Bukit Gambir, Bayan Lepas, Pulau Pinang, Malaysia

  http://orcid.org/0000-0002-8353-8679

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