S
Saipul Maulana
Researcher at Tadulako University
Publications - 7
Citations - 51
Saipul Maulana is an academic researcher from Tadulako University. The author has contributed to research in topics: Docking (molecular) & Medicine. The author has an hindex of 2, co-authored 4 publications receiving 10 citations.
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Journal ArticleDOI
Antiviral phytocompounds “ellagic acid” and “(+)-sesamin” of Bridelia retusa identified as potential inhibitors of SARS-CoV-2 3CL pro using extensive molecular docking, molecular dynamics simulation studies, binding free energy calculations, and bioactivity prediction
Abd Kakhar Umar,James H. Zothantluanga,K. Aswin,Saipul Maulana,Muhammad Sulaiman Zubair,H. Lalhlenmawia,Mithun Rudrapal,Dipak Chetia +7 more
TL;DR: In this article , the authors identify natural phytocompounds from Bridelia retusa as potential inhibitors of SARS-CoV-2 3CL pro (PDB ID: 6M2N) using in silico techniques.
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GC-MS, LC-MS/MS, Docking and Molecular Dynamics Approaches to Identify Potential SARS-CoV-2 3-Chymotrypsin-Like Protease Inhibitors from Zingiber officinale Roscoe.
Muhammad Zubair,Saipul Maulana,Agustinus Widodo,Ramadanil Pitopang,Muhammad Arba,Maywan Hariono +5 more
TL;DR: In this paper, the secondary metabolites of Zingiber officinale were identified using GC-MS, preparative TLC, and LC-MS/MS methods, to evaluate the inhibitory potency on SARS-CoV-2 3 chymotrypsin-like protease enzyme, as well as to study the molecular interaction and stability by using docking and molecular dynamics simulations.
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Penambatan Molekuler dan Simulasi Dinamika Molekuler Senyawa Dari Genus Nigella Terhadap Penghambatan Aktivitas Enzim Protease HIV-1: Molecular Docking and Molecular Dynamics Simulation of Compounds from Nigella Genus on Protease HIV-1 Enzyme Inhibitors
TL;DR: The results of molecular docking found the lowest affinity energy of Nigella compound is Nigellidine 4-O-sulfite, and it might be predicted to have potency as an HIV-1 Protease inhibitor.
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Docking study on anti-HIV-1 activity of secondary metabolites from Zingiberaceae plants
TL;DR: The docking molecular study identified the possible potential compounds from Zingiberaceae plants that might be used for anti-HIV-1 treatment by possessing lower docking energy than native ligand of amprenavir, raltegravir, and nevirapine.
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In Vitro and In Silico Studies of Quercetin and Daidzin as Selective Anticancer Agents
TL;DR: Docking and MD results showed that both compounds prefer to interact with epidermal growth factor receptor tyrosine kinase (EGFR-TK).