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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 1
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Research Articles

Identification of the natural compound inhibitors against Plasmodium falciparum plasmepsin-II via common feature based screening and molecular dynamics simulations

Anu Manhasa Department of Chemistry, Pandit Deendayal Petroleum University, Gujarat, India;b School of Applied Material Sciences, Central University of Gujarat, Gujarat, IndiaCorrespondence[email protected]
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,
Sujeet Kumarb School of Applied Material Sciences, Central University of Gujarat, Gujarat, IndiaView further author information
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Prakash C. Jhab School of Applied Material Sciences, Central University of Gujarat, Gujarat, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-1709-511XView further author information
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Pages 31-43 | Received 08 May 2020, Accepted 02 Aug 2020, Published online: 14 Aug 2020

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Abhisek Jana, Rahul Naga, Sougata Saha, Christian Griñán-Ferré & Deb Ranjan Banerjee. (2023) Integration of ligand and structure-based pharmacophore screening for the identification of novel natural leads against Euchromatic histone lysine methyltransferase 2 (EHMT2/G9a). Journal of Biomolecular Structure and Dynamics 0:0, pages 1-28.
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Anu Manhas, Amar Ghosh, Yogesh Verma, Tanay Das & Prakash C. Jha. (2023) Identification of natural products against enoyl-acyl-carrier-protein reductase in malaria via combined pharmacophore modeling, molecular docking and simulations studies. Journal of Biomolecular Structure and Dynamics 41:5, pages 2002-2015.
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Kolade O. Faloye, Manish Kumar Tripathi, Emmanuel G. Fakola, Awodayo O. Adepiti, Stephen A. Adesida, Ibukun O. Oyeleke, Praise A. Adebayo, Adeola E. Aregbesola, Samson O. Famuyiwa & Olawale F. Akinyele. Plasmepsin II inhibitory potential of phytochemicals isolated from African antimalarial plants: a computational approach. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-16.
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Abhay Tiwari, Garima Singh, Gourav Choudhir, Mohit Motiwale, Nidhi Joshi, Vasudha Sharma, Rupesh K. Srivastava, Satyawati Sharma, Marco Tutone & Pradeep Kumar Singour. (2022) Deciphering the Potential of Pre and Pro-Vitamin D of Mushrooms against Mpro and PLpro Proteases of COVID-19: An In Silico Approach. Molecules 27:17, pages 5620.
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