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Journal of Biomolecular Structure and Dynamics Volume 38, 2020 - Issue 11
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Research Articles

Potential novel inhibitors against emerging zoonotic pathogen Nipah virus: a virtual screening and molecular dynamics approach

Georcki Ropón-PalaciosLaboratório de Modelagem Computacional – LaModel, Instituto de Ciências Exatas – ICEx, Universidade Federal de Alfenas – UNIFAL-MG, Alfenas, Minas Gerais, Brazil;
,
Manuel E. Chenet-ZutaFacultad de Psicología, Universidad Nacional Autónoma de México, Distrito Federal, México;
,
Gustavo E. Olivos-RamirezLaboratorio de Evaluación de Los Recursos Acuáticos y Cultivo de Especies Auxiliares, Departamento Académico de Biología, Microbiología y Biotecnología, Facultad de Ciencias, Universidad Nacional Del Santa, Nuevo Chimbote, Perú;
,
Kewin OtazuFacultad de Ciencias Biológicas, Universidad Nacional Del Altiplano, Puno, Perú;
,
Jorge Acurio-SaavedraLaboratorio de Genética Molecular, Departamento de Biología, Facultad de Ciencias, Universidad Nacional de San Antonio Abad del Cusco, Cusco, Perú
&
Ihosvany CampsLaboratório de Modelagem Computacional – LaModel, Instituto de Ciências Exatas – ICEx, Universidade Federal de Alfenas – UNIFAL-MG, Alfenas, Minas Gerais, Brazil; Correspondence[email protected]
Pages 3225-3234 | Received 13 Apr 2019, Accepted 05 Aug 2019, Published online: 22 Aug 2019

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Chandran S. Abhinand, Junaida Ibrahim, Thottethodi Subrahmanya Keshava Prasad, Rajesh Raju, Oommen V. Oommen & Achuthsankar S. Nair. (2023) Molecular docking and dynamics studies for the identification of Nipah virus glycoprotein inhibitors from Indian medicinal plants. Journal of Biomolecular Structure and Dynamics 41:19, pages 9211-9218.
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Iqra Naeem, Rana Muhammad Mateen, Syed Sibtul Hassan, Asma Tariq, Rukhsana Parveen, Muhammad Arif Nadeem Saqib, Muhammad Irfan Fareed, Mureed Hussain & Muhammad Sohail Afzal. (2023) In silico identification of potential drug-like molecules against G glycoprotein of Nipah virus by molecular docking, DFT studies, and molecular dynamic simulation. Journal of Biomolecular Structure and Dynamics 41:15, pages 7104-7118.
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Lili Dong, Shengqiang Shen, Yefei Xu, Leng Wang, Qing Yang, Jianjun Zhang & Huizhe Lu. (2021) Identification of novel insect β-N-acetylhexosaminidase OfHex1 inhibitors based on virtual screening, biological evaluation, and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 39:5, pages 1735-1743.
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Articles from other publishers (10)

Siyun Yang & Supratik Kar. (2023) Are we ready to fight the Nipah virus pandemic? An overview of drug targets, current medications, and potential leads. Structural Chemistry 34:6, pages 2119-2137.
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Fredmoore L. Orosco. (2023) Breaking the chains: Advancements in antiviral strategies to combat Nipah virus infections. International Journal of One Health, pages 122-133.
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Cleidy Osorio-Mogollón, Gustavo E. Olivos-Ramírez, Kewin Otazu, Manuel E. Chenet-Zuta, Georcki Ropón-Palacios, Cinthia das Dores Aguiar, Ihosvany Camps, Gabriel M. Jimenez-Avalos, Eduardo Apari-Cossio, Natalia E. Torres Moreira & Reyna G. Cárdenas-Cárdenas. (2023) Attacking the SARS-CoV-2 Replication Machinery with the Pathogen Box’s Molecules. Letters in Drug Design & Discovery 20:7, pages 808-820.
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Deblina Rababi & Anish Nag. (2023) Evaluation of therapeutic potentials of selected phytochemicals against Nipah virus, a multi-dimensional in silico study. 3 Biotech 13:6.
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Sakshi Gautam & Manoj Kumar. 2023. Current Trends in Computational Modeling for Drug Discovery. Current Trends in Computational Modeling for Drug Discovery 137 156 .
Faisal Ahmad, Aqel Albutti, Muhammad Hamza Tariq, Ghufranud Din, Muhammad Tahir ul Qamar & Sajjad Ahmad. (2022) Discovery of Potential Antiviral Compounds against Hendra Virus by Targeting Its Receptor-Binding Protein (G) Using Computational Approaches. Molecules 27:2, pages 554.
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Ahmed M Osman & Hanaa M Alam EL-Din. (2021) In-Silico Screening of Potential Anti-Glycoprotein of Nipah Virus. In-Silico Screening of Potential Anti-Glycoprotein of Nipah Virus.
Gabriel Jiménez-Avalos, A. Paula Vargas-Ruiz, Nicolás E. Delgado-Pease, Gustavo E. Olivos-Ramirez, Patricia Sheen, Manolo Fernández-Díaz, Miguel Quiliano, Mirko Zimic, Andres Agurto-Arteaga, Ricardo Antiparra, Manuel Ardiles-Reyes, Katherine Calderon, Yudith Cauna-Orocollo, Maria de Grecia Cauti-Mendoza, Naer Chipana-Flores, Ricardo Choque-Guevara, Xiomara Chunga-Girón, Manuel Criollo-Orozco, Lewis De La Cruz, Elmer Delgado-Ccancce, Christian Elugo-Guevara, Manolo Fernández-Sanchez, Luis Guevara-Sarmiento, Kristel Gutiérrez, Oscar Heredia-Almeyda, Edison Huaccachi-Gonzalez, Pedro Huerta-Roque, Eliana Icochea, Gisela Isasi-Rivas, Romina A. Juscamaita-Bartra, Abraham Licla-Inca, Angela Montalvan, Ricardo Montesinos-Millan, Dennis Núñez-Fernández, Adiana Ochoa-Ortiz, Erika Páucar-Montoro, Kathy Pauyac, Jose L. Perez-Martinez, Norma Perez-M, Astrid Poma-Acevedo, Stefany Quiñones-Garcia, Ingrid Ramirez-Ortiz, Daniel Ramos-Sono, Angela A. Rios-Angulo, Dora Rios-Matos, Aldo Rojas-Neyra, Yomara K. Romero, Mario I. Salguedo-Bohorquez, Yacory Sernaque-Aguilar, Luis F. Soto, Luis Tataje-Lavanda, Julio Ticona, Katherine Vallejos-Sánchez, Doris Villanueva-Pérez & Freddy Ygnacio-Aguirre. (2021) Comprehensive virtual screening of 4.8 k flavonoids reveals novel insights into allosteric inhibition of SARS-CoV-2 MPRO. Scientific Reports 11:1.
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Malti Sanjay Kalbhor, Shovonlal Bhowmick, Amer M. Alanazi, Pritee Chunarkar Patil & Md Ataul Islam. (2021) Multi-step molecular docking and dynamics simulation-based screening of large antiviral specific chemical libraries for identification of Nipah virus glycoprotein inhibitors. Biophysical Chemistry 270, pages 106537.
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Raju Lipin, Anantha Krishnan Dhanabalan, Krishnasamy Gunasekaran & Rajadurai Vijay Solomon. (2021) Piperazine-substituted derivatives of favipiravir for Nipah virus inhibition: What do in silico studies unravel?. SN Applied Sciences 3:1.
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