Structure-based drug design-guided identification of estrogen receptor binders

Article Multidisciplinary Sciences

Identification of potential edible mushroom as SARS-CoV-2 main protease inhibitor using rational drug designing approach

Debanjan Sen et al.

Summary: This study identified potential compounds with anti-SARS-CoV-2 activity from edible mushrooms, highlighting their significance in the development of novel COVID-19 therapeutics.

SCIENTIFIC REPORTS (2022)

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Article Chemistry, Applied

Mushrooms are potential foods against cancer: identified by molecular docking and molecular dynamics simulation

Sudhan Debnath et al.

Summary: The study identified edible mushrooms as potential EGFR inhibitors through virtual screening and molecular dynamics. Further research showed the stability of these mushrooms in the active site, suggesting their potential as anti-cancer food. The results indicated that these potential binders may be more effective than known inhibitors.

NATURAL PRODUCT RESEARCH (2022)

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Article Chemistry, Multidisciplinary

Synthesis, molecular docking and dynamics study of novel epoxide derivatives of 1,2,4-trioxanes as antimalarial agents

Akriti Kumari et al.

Summary: This study reports the evaluation of the binding profile of epoxide derivatives of 1,2,4-trioxanes to the Pf-DHFR receptor using molecular docking and dynamics experiments. The synthesized compounds showed a good binding profile to the protein.

STRUCTURAL CHEMISTRY (2022)

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Review Endocrinology & Metabolism

ERK1/2-RSK2 Signaling in Regulation of ERα-Mediated Responses

Deborah A. Lannigan

Summary: This review focuses on the coordination between ERK1/2-RSK2 and estrogen signaling through ERα, and their interrelationships at the levels of transcription, translation, and posttranslational modification. Understanding how they cooperate in homeostasis and disease may lead to new therapeutic approaches for estrogen-dependent disorders.

ENDOCRINOLOGY (2022)

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Article Biochemistry & Molecular Biology

In silico analysis and identification of promising hits against 2019 novel coronavirus 3C-like main protease enzyme

Shilpa Chatterjee et al.

Summary: The recent COVID-19 outbreak poses a global threat with no specific drug or vaccine discovered yet. Through screening experiments, two drug-like compounds have been identified as potential inhibitors against the main protease of the SARS-CoV-2 virus.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

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Article Pharmacology & Pharmacy