Integration of virtual screening of phytoecdysteroids as androgen receptor inhibitors by 3D-QSAR Model, CoMFA, molecular docking and ADMET analysis: An extensive and interactive machine learning.

Shafiq, Nusrat; Zameer, Rabia; Attiq, Naila; Moveed, Aniqa; Farooq, Ariba; Imtiaz, Fazeelat; Parveen, Shagufta; Rashid, Maryam; Noor, Nadia

Shafiq, Nusrat; Zameer, Rabia; Attiq, Naila; Moveed, Aniqa; Farooq, Ariba; Imtiaz, Fazeelat; Parveen, Shagufta; Rashid, Maryam; Noor, Nadia.

Afiliación

Shafiq N; Synthetic and Natural Product Discovery Laboratory, Department of Chemistry, Government College Women University Faisalabad, 38000, Pakistan. Electronic address: dr.nusratshafiq@gcwuf.edu.pk.
Zameer R; Synthetic and Natural Product Discovery Laboratory, Department of Chemistry, Government College Women University Faisalabad, 38000, Pakistan.
Attiq N; Synthetic and Natural Product Discovery Laboratory, Department of Chemistry, Government College Women University Faisalabad, 38000, Pakistan.
Moveed A; Synthetic and Natural Product Discovery Laboratory, Department of Chemistry, Government College Women University Faisalabad, 38000, Pakistan.
Farooq A; Department of Chemistry, The University of Lahore, Lahore, Pakistan.
Imtiaz F; Green Chemistry Laboratory, Department of Chemistry, Government College Women University Faisalabad, 38000, Pakistan.
Parveen S; Synthetic and Natural Product Discovery Laboratory, Department of Chemistry, Government College Women University Faisalabad, 38000, Pakistan.
Rashid M; Synthetic and Natural Product Discovery Laboratory, Department of Chemistry, Government College Women University Faisalabad, 38000, Pakistan.
Noor N; Micro-Biology Laboratory, Department of Chemistry, Government College Women University Faisalabad, 38000, Pakistan.

J Steroid Biochem Mol Biol ; 237: 106427, 2024 03.

Article en En | MEDLINE | ID: mdl-38008365

Asunto(s)

Relación Estructura-Actividad Cuantitativa; Receptores Androgénicos; Simulación del Acoplamiento Molecular; Ecdisteroides; Antioxidantes

Palabras clave

3D-QSAR; ADMET; Anti-acne; CoMFA; Cytotoxicity; Insect molting hormones

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Receptores Androgénicos / Relación Estructura-Actividad Cuantitativa Idioma: En Revista: J Steroid Biochem Mol Biol Asunto de la revista: BIOLOGIA MOLECULAR / BIOQUIMICA Año: 2024 Tipo del documento: Article Pais de publicación: Reino Unido

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