Výsledky vyhledávání - "Protein

Akademický článek

Databases of ligand-binding pockets and protein-ligand interactions

Autor: Kristy A. Carpenter, Russ B. Altman

Publikováno v: Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 1320-1338 (2024)

Many research groups and institutions have created a variety of databases curating experimental and predicted data related to protein-ligand binding. The landscape of available databases is dynamic, with new databases emerging and established databas

Externí odkaz: https://doaj.org/article/368b581a917a4f8fa28803170055a5c6

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Akademický článek

Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface

Autor: Elisa Fagnani, Francesco Bonì, Pierfausto Seneci, Davide Gornati, Luca Muzio, Eloise Mastrangelo, Mario Milani

Publikováno v: Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 1088-1093 (2024)

The stabilization of the retromer protein complex can be effective in the treatment of different neurological disorders. Following the identification of bis-1,3-phenyl guanylhydrazone 2a as an effective new compound for the treatment of amyotrophic l

Externí odkaz: https://doaj.org/article/1cd32817805240faa098c6e2c29a04ba

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Akademický článek

Databases of ligand-binding pockets and protein-ligand interactions

Autor: Carpenter, Kristy A. ^a, Altman, Russ B. ^{a, b, c, d, ⁎}

Publikováno v: In Computational and Structural Biotechnology Journal December 2024 23:1320-1338

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Akademický článek

Quantum chemical calculations on calcium oxalate and dolichin A and their binding efficacy to lactoferrin: An in silico study using DFT, molecular docking, and molecular dynamics simulations

Autor: Arjun Acharya, Madan Khanal, Rajesh Maharjan, Kalpana Gyawali, Bhoj Raj Luitel, Rameshwar Adhikari, Deependra Das Mulmi, Tika Ram Lamichhane, Hari Prasad Lamichhane

Publikováno v: AIMS Biophysics, Vol 11, Iss 2, Pp 142-165 (2024)

Lactoferrin, a member of the transferrin family, is one of the promoter proteins for calcium oxalate-type kidney stone formation. It exhibits a remarkable ability to interact with metals and oxalate ions. The prevalence of calcium oxalate in kidney s

Externí odkaz: https://doaj.org/article/830a414a0bee48d78eceb7fa045f7f11

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Akademický článek

Computational integration for antifungal 1,2,4-triazole inhibitors design: QSAR, molecular docking, molecular dynamics simulations, ADME/Tox, and retrosynthesis studies

Autor: Soukaina Bouamrane, Ayoub Khaldan, Marwa Alaqarbeh, Abdelouahid Sbai, Mohammed Aziz Ajana, Tahar Lakhlifi, Mohammed Bouachrine, Hamid Maghat

Publikováno v: Chemical Physics Impact, Vol 8, Iss , Pp 100502- (2024)

Fungal infections are a growing public health problem worldwide. Despite the availability of several medicines, their efficacy is still constrained by fungal resistance. This research conducted the 2D/3D-QSAR analysis on twenty-nine triazole molecule

Externí odkaz: https://doaj.org/article/ed52f1aba3dd48468596591a87199319

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