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Schrodinger LLC ligprep module schrodinger-2017
Ligprep Module Schrodinger 2017, supplied by Schrodinger LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/ligprep/ligprep+module+within+schrodinger+maestro+2022+3/pmc10786269__pnas__2309664121__sapp-141-4-5
Average 90 stars, based on 1 article reviews
ligprep module schrodinger-2017 - by Bioz Stars, 2026-10
90/100 stars

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Related Articles

other:

Article Title: Design, synthesis, in vitroand in silico studies of novel isatin-hybrid hydrazones as potential triple-negative breast cancer agents
Article Snippet: We have utilized LigPrep, Schrodinger, LLC, NY, 2023 and ‘Protein Preparation Workflow’ Schrodinger, LLC, NY, 2023 for preparing ligand and protein for assigning 3D coordinates and protonation state.

Article Title: Small molecule disruption of RARα/NCoR1 interaction inhibits chaperone-mediated autophagy in cancer.
Article Snippet: CIM7 and CIM7 analogs were converted to 3D all atom structures using Ligprep (Schrodinger, LLC) and assigned partial charges with Epik (Schrodinger, LLC).

Generated:

Article Title: Development of novel Paullone-based PROTACs as Anticancer agents
Article Snippet: Proteolysis-targeting chimera (PROTACs) represents a promising modality that has gained significant attention for cancer treatment.. Using PROTAC technology, we synthesized novel structurally modified paullone-based PROTACs using Cereblon (CRBN) and Von Hippel–Lindau (VHL) E3 ligands.. Compared with standard Doxorubicin, PROTAC 23a significantly inhibited the growth of MCF-7 breast cancer cells (IC50 = 0.10 μM) and A549 lung cancer cells (IC50 = 0.12 μM).

Article Title: Integrated transcriptomics- and structure-based drug repositioning identifies drugs with proteasome inhibitor properties
Article Snippet: .. The library of approved drugs was prepared using LigPrep (Schrodinger Release 2022–3, LigPrep, Schrodinger, LLC, New York, NY, 2021) and all possible stereoisomers, tautomers, and protonation states at pH 7.0 ± 2.0 were generated using the Epik module . ..

Article Title: Synthesis, Biological Activity, and Molecular-Docking Studies of New Brassinosteroid Analogs
Article Snippet: .. Three-dimensional structures of ligands to be docked were generated and prepared using LigPrep implemented in Maestro 13.4 (LigPrep, Schrodinger, LLC: New York, NY, USA, 2022). ..

Preserving:

Article Title: Investigating the Role of Natural Flavonoids in VEGFR Inhibition: Molecular Modelling and Biological Activity in A549 Lung Cancer Cells
Article Snippet: Genetics, lifestyle, and hormones influence lung cancer, the most common malignancy in the world.. VEGFR plays a key role in tumor growth and metastasis by promoting angiogenesis.. While anti-angiogenic therapies targeting VEGFR show potential, resistance remains a challenge, and elevated VEGFR levels are associated with aggressive tumors and poor outcomes.

Software:

Article Title: Synthesis and antiproliferative activity of 2-oxo-3-phenylquinoxaline derivatives and related compounds against colon cancer
Article Snippet: .. The ligands to be docked were developed using LigPrep, a software tool available in Maestro 11.8 (LigPrep, version 11.8; Schrodinger, LLC: New York, NY, 2017). ..



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