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Journal of Biomolecular Structure and Dynamics Volume 42, 2024 - Issue 5
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Research Articles

3D-QSAR, docking and molecular dynamics simulations of novel Pyrazolo-pyridazinone derivatives as covalent inhibitors of FGFR1: a scientific approach for possible anticancer agents

Shafaq Hamzaa Institute of Pharmaceutical Sciences (IPS), University of Veterinary and Animal Sciences (UVAS), Lahore, PakistanView further author information
,
Abira Abidb Sharif Medical and Dental College, Lahore, PunjabView further author information
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Affia Khanumc Women Medical Officer, DHQ Hospital Muzaffargarh, Punjab, PakistanView further author information
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Talha Ali Chohand Institute of Molecular Biology and Biotechnology, The University of Lahore, Lahore, PakistanView further author information
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Hammad Saleema Institute of Pharmaceutical Sciences (IPS), University of Veterinary and Animal Sciences (UVAS), Lahore, PakistanView further author information
,
Kashif Maqbool Khana Institute of Pharmaceutical Sciences (IPS), University of Veterinary and Animal Sciences (UVAS), Lahore, PakistanView further author information
,
Umair Khurshide Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Punjab, PakistanView further author information
,
Juwairiya Buttf School of Life Sciences, University of Westminster, London, UKView further author information
,
Sirajudheen Anwarg Department of Pharmacology and Toxicology, College of Pharmacy, University of Hail, Hail, Saudi ArabiaView further author information
,
Ahmed Alafnang Department of Pharmacology and Toxicology, College of Pharmacy, University of Hail, Hail, Saudi ArabiaView further author information
,
Siddique Akber Ansarih Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, Saudi ArabiaView further author information
,
Aisha Qayyumi Department of Pediatric Medicine, Fatima Memorial Hospital, Lahore, PakistanCorrespondence[email protected]
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,
Ali Razaj College of Pharmacy, The University of Lahore, Lahore, PakistanView further author information
&
Tahir Ali Chohana Institute of Pharmaceutical Sciences (IPS), University of Veterinary and Animal Sciences (UVAS), Lahore, PakistanCorrespondence[email protected]
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Pages 2242-2256 | Received 06 Dec 2022, Accepted 10 Apr 2023, Published online: 22 May 2023

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Achyuta Nagaraj, Sriram Srinivasa Raghavan, Ayyadurai Niraikulam, Namasivayam Gautham & Krishnasamy Gunasekaran. (2023) Sanggenol B, a plant bioactive, as a safer alternative to tackle cancer by antagonising human FGFR. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-12.
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Articles from other publishers (1)

Iffat Habib, Tahir Ali Chohan, Talha Ali Chohan, Fakhra Batool, Umair Khurshid, Anjum Khursheed, Ali Raza, Mukhtar Ansari, Arshad Hussain, Sirajudheen Anwar, Nasser A. Awadh Ali & Hammad Saleem. (2024) Integrated computational approaches for designing potent pyrimidine-based CDK9 inhibitors: 3D-QSAR, docking, and molecular dynamics simulations. Computational Biology and Chemistry 108, pages 108003.
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