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Journal of Biomolecular Structure and Dynamics Volume 39, 2021 - Issue 7
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Research Articles

E-pharmacophore based virtual screening for identification of dual specific PDE5A and PDE3A inhibitors as potential leads against cardiovascular diseases

Arooma Maryama Department of Biosciences, COMSATS University, Islamabad, Pakistan;b Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Biruni University, Istanbul, TurkeyView further author information
,
Rana Rehan Khalida Department of Biosciences, COMSATS University, Islamabad, PakistanView further author information
,
Abdul Rauf Siddiqia Department of Biosciences, COMSATS University, Islamabad, PakistanCorrespondence[email protected] [email protected] [email protected] [email protected]
View further author information
&
Abdulilah Eceb Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Biruni University, Istanbul, TurkeyCorrespondence[email protected] [email protected] [email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0002-3087-5145View further author information
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Pages 2302-2317 | Received 31 Dec 2019, Accepted 19 Mar 2020, Published online: 17 Apr 2020

Citations (7)

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Read on this site (3)

Arooma Maryam, Abdul Rauf Siddiqi, Sundeep Chaitanya Vedithi, Abdulilah Ece & Rana Rehan Khalid. (2023) Identification of selective inhibitors for phosphodiesterase 5A using e-pharmacophore modelling and large-scale virtual screening-based structure guided drug discovery approaches. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-16.
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Rana Rehan Khalid, Arooma Maryam, Süleyman Selim Çınaroğlu, Abdul Rauf Siddiqi & Osman Ugur Sezerman. (2022) A recursive molecular docking coupled with energy-based pose-rescoring and MD simulations to identify hsGC βH-NOX allosteric modulators for cardiovascular dysfunctions. Journal of Biomolecular Structure and Dynamics 40:13, pages 6128-6150.
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Muhammad Amin & Ghazanfar Abbas. (2021) Docking study of chloroquine and hydroxychloroquine interaction with RNA binding domain of nucleocapsid phospho-protein – an in silico insight into the comparative efficacy of repurposing antiviral drugs. Journal of Biomolecular Structure and Dynamics 39:12, pages 4243-4255.
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Articles from other publishers (4)

Femi Olawale, Kolawole Olofinsan, Oludare M. Ogunyemi, Kayode O. Karigidi, Gideon A. Gyebi, Ibrahim M. Ibrahim & Opeyemi Iwaloye. (2023) Deciphering the therapeutic role of Kigelia africana fruit in erectile dysfunction through metabolite profiling and molecular modelling. Informatics in Medicine Unlocked 37, pages 101190.
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Arthi Venkatesan, Anantha Krishnan Dhanabalan, Selvakumar Rajendran, Shyamala Gowri Shanmugasundharam, Krishnasamy Gunasekaran & J. Febin Prabhu Dass. (2022) Structure‐based pharmacophore modeling, virtual screening approaches to identifying the potent hepatitis C viral protease and polymerase novel inhibitors. Journal of Cellular Biochemistry 123:8, pages 1366-1380.
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Priyanka Ramesh, Woong-Hee Shin & Shanthi Veerappapillai. (2021) Discovery of a Potent Candidate for RET-Specific Non-Small-Cell Lung Cancer—A Combined In Silico and In Vitro Strategy. Pharmaceutics 13:11, pages 1775.
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Faika Başoğlu, Nuray Ulusoy‐Güzeldemirci, Gülşen Akalın‐Çiftçi, Serap Çetinkaya & Abdulilah Ece. (2021) Novel imidazo[2,1‐ b ]thiazole‐based anticancer agents as potential focal adhesion kinase inhibitors: Synthesis, in silico and in vitro evaluation . Chemical Biology & Drug Design 98:2, pages 270-282.
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