Výsledky vyhledávání - "Farzin Sohraby"

Akademický článek

pH-dependence of the Plasmodium falciparum chloroquine resistance transporter is linked to the transport cycle

Autor: Fiona Berger, Guillermo M. Gomez, Cecilia P. Sanchez, Britta Posch, Gabrielle Planelles, Farzin Sohraby, Ariane Nunes-Alves, Michael Lanzer

Publikováno v: Nature Communications, Vol 14, Iss 1, Pp 1-16 (2023)

Abstract The chloroquine resistance transporter, PfCRT, of the human malaria parasite Plasmodium falciparum is sensitive to acidic pH. Consequently, PfCRT operates at 60% of its maximal drug transport activity at the pH of 5.2 of the digestive vacuol

Externí odkaz: https://doaj.org/article/4481fd0850c543e2a8b0bb81ca74a0e9

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Akademický článek

Application of Molecular Dynamics in Coating Ag-Conjugated Nanoparticles with Potential Therapeutic Applications

Autor: Farzin Sohraby, Mojtaba Hadi Soltanabad, Milad Bagheri, Masood Bezi Javan, Mostafa Javaheri Moghadam, Eisa Kohan Baghkheirati, Mohammad Bagher Bagherieh Najjar

Publikováno v: Nano Biomedicine and Engineering, Vol 12, Iss 1, Pp 90-98 (2020)

Drug delivery systems may benefit from nanoparticles synthesized using biological methods. While chemical reduction of particles is facilitated by some active compounds present in the bio-extract, other active compounds, with potential therapeutic ac

Externí odkaz: https://doaj.org/article/60ae6b7210424846a06e1ea7033f487d

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Akademický článek

Unraveling the unbinding pathways of SARS-CoV-2 Papain-like proteinase known inhibitors by Supervised Molecular Dynamics simulation.

Autor: Farzin Sohraby, Hassan Aryapour

Publikováno v: PLoS ONE, Vol 16, Iss 5, p e0251910 (2021)

The COVID-19 disease has infected and killed countless people all over the world since its emergence at the end of 2019. No specific therapy for COVID-19 is not currently available, and urgent treatment solutions are needed. Recent studies have found

Externí odkaz: https://doaj.org/article/a68e15f8ad5840279bd66906f705e192

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Akademický článek

Comparative analysis of the unbinding pathways of antiviral drug Indinavir from HIV and HTLV1 proteases by supervised molecular dynamics simulation.

Autor: Farzin Sohraby, Hassan Aryapour

Publikováno v: PLoS ONE, Vol 16, Iss 9, p e0257916 (2021)

Determining the unbinding pathways of potential small molecule compounds from their target proteins is of great significance for designing efficacious treatment solutions. One of these potential compounds is the approved HIV-1 protease inhibitor, Ind

Externí odkaz: https://doaj.org/article/1424a7a62be74080838997697925daf9

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Complete reconstruction of dasatinib unbinding pathway from c-Src kinase by supervised molecular dynamics simulation method; assessing efficiency and trustworthiness of the method

Autor: Farzin Sohraby, Hassan Aryapour, Masoud Aliyar, Mostafa Javaheri Moghadam

Publikováno v: Journal of Biomolecular Structure and Dynamics. 40:12535-12545

Over the past years, rational drug design has gained lots of attention since employing it gave the world targeted therapy and more effective treatment solutions. Structure-based drug design (SBDD) is an excellent tool in rational drug design that tak

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::81e9308fd1d9b49db77cec911eeca775
https://doi.org/10.1080/07391102.2021.1972839

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Advances in computational methods for ligand binding kinetics

Autor: Farzin Sohraby, Ariane Nunes-Alves

Publikováno v: Trends in biochemical sciences.

Binding kinetic parameters can be correlated with drug efficacy, which in recent years led to the development of various computational methods for predicting binding kinetic rates and gaining insight into protein-drug binding paths and mechanisms. In

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2e260a658c5d7ff58ab9cb1fe4cb2b7c
https://pubmed.ncbi.nlm.nih.gov/36566088

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A boosted unbiased molecular dynamics method for predicting ligands binding mechanisms: probing the binding pathway of dasatinib to Src-kinase

Autor: Farzin Sohraby, Mostafa Javaheri Moghadam, Hassan Aryapour, Masoud Aliyar

Publikováno v: Bioinformatics. 36:4714-4720

Summary Small molecules such as metabolites and drugs play essential roles in biological processes and pharmaceutical industry. Knowing their interactions with biomacromolecular targets demands a deep understanding of binding mechanisms. Dozens of pa

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::46d4a2b7b7a0c0d9225e597abf6fbfe1
https://doi.org/10.1093/bioinformatics/btaa565

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Reconstruction of the binding pathway of an anti-HIV drug, Indinavir, in complex with the HTLV-1 protease by Unaggregated Unbiased Molecular Dynamics simulation

Autor: Hassan Aryapour, Farzin Sohraby

Retroviruses are a growing concern for the health of human beings, and one of the dangerous members of this family is the Human T-cell Leukemia Virus 1 (HTLV-1) virus. It has affected more than 20 million people so far, and since there are no registe

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fcb374b417f5da6ebf9119ff016e6a45
https://doi.org/10.1101/2021.09.09.459615

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Reconstruction of the binding pathway of an anti-HIV drug, Indinavir, in complex with the HTLV-1 protease using unaggregated unbiased molecular dynamics simulation

Autor: Farzin Sohraby, Hassan Aryapour

Publikováno v: Computational biology and chemistry. 96

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a19bf7fb83d34e72f59a68e21748814
https://pubmed.ncbi.nlm.nih.gov/34883394

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