Identification of selective inhibitors for phosphodiesterase 5A using e-pharmacophore modelling and large-scale virtual screening-based structure guided drug discovery approaches.

Maryam, Arooma; Siddiqi, Abdul Rauf; Chaitanya Vedithi, Sundeep; Ece, Abdulilah; Khalid, Rana Rehan

Maryam, Arooma; Siddiqi, Abdul Rauf; Chaitanya Vedithi, Sundeep; Ece, Abdulilah; Khalid, Rana Rehan.

Afiliação

Maryam A; Department of Biosciences, COMSATS University Islamabad (CUI), Islamabad, Pakistan.
Siddiqi AR; Department of Biochemistry and Molecular Biotechnology, University of Massachusetts Chan Medical School, Worcester, MA, USA.
Chaitanya Vedithi S; Department of Biochemistry, University of Cambridge, Cambridge, UK.
Ece A; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Biruni University, Istanbul, Turkey.
Khalid RR; Department of Biosciences, COMSATS University Islamabad (CUI), Islamabad, Pakistan.

J Biomol Struct Dyn ; : 1-16, 2023 Aug 06.

Article em En | MEDLINE | ID: mdl-37545162

Palavras-chave

ADMET; Cardiovascular diseases; MM-GBSA; Molecular Dynamics Simulation; pharmacophore-based-virtual screening; selective PDE5A inhibitors

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2023 Tipo de documento: Article

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