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Molecular Simulation Volume 47, 2021 - Issue 12
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Theoretical studies of Thiazolyl-Pyrazoline derivatives as promising drugs against malaria by QSAR modelling combined with molecular docking and molecular dynamics simulation

Arwansyah Arwansyaha Department of Chemistry, Faculty of Science, Universitas Cokroaminoto Palopo, Palopo, IndonesiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-1784-5942
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Abdur Rahman Arifb Department of Chemistry, Faculty of Mathematics and Natural Sciences, Hasanuddin University, Makassar, IndonesiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-8722-2949
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Gita Syahputrac Research Center for Biotechnology, Indonesian Institute of Science, Bogor, IndonesiaORCID Iconhttps://orcid.org/0000-0001-6164-9397
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Sukarti Sukartia Department of Chemistry, Faculty of Science, Universitas Cokroaminoto Palopo, Palopo, IndonesiaORCID Iconhttps://orcid.org/0000-0002-6512-6400
ORCID Icon &
Isman Kurniawand School of Computing, Telkom University, Bandung, Indonesia;e Research Center of Human Centric Engineering, Telkom University, Bandung, IndonesiaORCID Iconhttps://orcid.org/0000-0003-3485-3063
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Pages 988-1001 | Received 18 Feb 2021, Accepted 15 May 2021, Published online: 07 Jun 2021

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A. Arwansyah, A.R. Arif, A. Kade, M. Taiyeb, I. Ramli, T. Santoso, P. Ningsih, H. Natsir, T. Tahril & K. Uday Kumar. (2022) Molecular modelling on multiepitope-based vaccine against SARS-CoV-2 using immunoinformatics, molecular docking, and molecular dynamics simulation. SAR and QSAR in Environmental Research 33:9, pages 649-675.
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A. Gandhi, V. Masand, M.E.A. Zaki, S.A. Al-Hussain, A. Ben Ghorbal & A. Chapolikar. (2021) QSAR analysis of sodium glucose co–transporter 2 (SGLT2) inhibitors for anti-hyperglycaemic lead development. SAR and QSAR in Environmental Research 32:9, pages 731-744.
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A. Arwansyah, A.R. Arif, I. Ramli, I. Kurniawan, S. Sukarti, M. Nur Alam, I. Illing, A. Farid Lewa & B. Manguntungi. (2021) Molecular modelling on SARS-CoV-2 papain-like protease: an integrated study with homology modelling, molecular docking, and molecular dynamics simulations. SAR and QSAR in Environmental Research 32:9, pages 699-718.
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Articles from other publishers (4)

Lekkala Ravindar, Siti Aishah Hasbullah, K.P. Rakesh & Nurul Izzaty Hassan. (2023) Pyrazole and pyrazoline derivatives as antimalarial agents: A key review. European Journal of Pharmaceutical Sciences 183, pages 106365.
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Manish Rana, Md Imam Faizan, Sajad Hussain Dar, Tanveer Ahmad & Rahisuddin. (2022) Design and Synthesis of Carbothioamide/Carboxamide-Based Pyrazoline Analogs as Potential Anticancer Agents: Apoptosis, Molecular Docking, ADME Assay, and DNA Binding Studies. ACS Omega 7:26, pages 22639-22656.
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Hasnah Natsir, Abdur Rahman Arif, Abdul Wahid Wahab, Prastawa Budi, Rugaiyah Andi Arfah, Arwansyah Arwansyah, Ahmad Fudholi, Ni Luh Suriani & Achmad Himawan. (2022) Inhibitory effects of Moringa oleifera leaves extract on xanthine oxidase activity from bovine milk. Pharmacia 69:2, pages 363-375.
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Arwansyah Arwansyah, Abdur Rahman Arif, Irwan Ramli, Hasrianti Hasrianti, Isman Kurniawan, Laksmi Ambarsari, Tony Ibnu Sumaryada & Mushawwir Taiyeb. (2022) Investigation of Active Compounds of Brucea Javanica In Treating Hypertension Using A Network Pharmacology‐Based Analysis Combined with Homology Modeling, Molecular Docking and Molecular Dynamics Simulation . ChemistrySelect 7:1.
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