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Journal of Biomolecular Structure and Dynamics Volume 39, 2021 - Issue 16
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Research Articles

Exploring 3-Benzyloxyflavones as new lead cholinesterase inhibitors: synthesis, structure–activity relationship and molecular modelling simulations

Ehsan Ullah Mughala Department of Chemistry, University of Gujrat, Gujrat, PakistanCorrespondence[email protected] [email protected]
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,
Amina Sadiqb Department of Chemistry, Govt. College Women University, Sialkot, PakistanCorrespondence[email protected] [email protected]
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,
Momna Ayubb Department of Chemistry, Govt. College Women University, Sialkot, PakistanView further author information
,
Nafeesa Naeema Department of Chemistry, University of Gujrat, Gujrat, PakistanView further author information
,
Asif Javida Department of Chemistry, University of Gujrat, Gujrat, PakistanView further author information
,
Sajjad Hussain Sumrraa Department of Chemistry, University of Gujrat, Gujrat, PakistanView further author information
,
Muhammad Naveed Zafarc Department of Chemistry, Quaid-i-Azam University, Islamabad, PakistanView further author information
,
Bilal Ahmad Khand Department of Chemistry, University of Azad Jammu and Kashmir, Muzaffarabad, PakistanView further author information
,
Fouzia Perveen Malike RCMS, National University of Science and Technology, Islamabad, PakistanView further author information
&
Ishtiaq Ahmedf Department of Engineering & Biotechnology, University of Cambridge, Cambridge, UKView further author information
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Pages 6154-6167 | Received 07 May 2020, Accepted 13 Jul 2020, Published online: 05 Aug 2020

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Aysha Siddiqa, Affifa Tajammal, Ahmad Irfan, Munawar Ali Munawar, Muhammad Azam & Muhammad Asim Raza Basra. (2022) Synthesis, antioxidant, in silico and computational investigation of 2,5-dihydroxyacetophenone derived chloro-substituted hydroxychalcones, hydroxyflavanones and hydroxyflavindogenides. Journal of Biomolecular Structure and Dynamics 40:20, pages 10265-10277.
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Cüneyt Türkeş, Suleyman Akocak, Mesut Işık, Nebih Lolak, Parham Taslimi, Mustafa Durgun, İlhami Gülçin, Yakup Budak & Şükrü Beydemir. (2022) Novel inhibitors with sulfamethazine backbone: synthesis and biological study of multi-target cholinesterases and α-glucosidase inhibitors. Journal of Biomolecular Structure and Dynamics 40:19, pages 8752-8764.
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Hai Duc Nguyen. In silico identification of novel heterocyclic compounds combats Alzheimer’s disease through inhibition of butyrylcholinesterase enzymatic activity. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-21.
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Articles from other publishers (9)

Ayse Tan & Zuleyha Almaz. (2023) A series of 1,2,3-triazole compounds: Synthesis, characterization, and investigation of the cholinesterase inhibitory properties via in vitro and in silico studies. Journal of Molecular Structure 1277, pages 134854.
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Hanan A. Al-ghulikah, Ehsan Ullah Mughal, Eslam B. Elkaeed, Nafeesa Naeem, Yasir Nazir, Abdullah Yahya Abdullah Alzahrani, Amina Sadiq & Syed Wadood Ali Shah. (2023) Discovery of chalcone derivatives as potential α-glucosidase and cholinesterase inhibitors: Effect of hyperglycemia in paving a path to dementia. Journal of Molecular Structure 1275, pages 134658.
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Nadia Gul, Shujaat Ahmad, Hanif Ahmad, Abdul Aziz, Mazen Almehmadi, Ahad Amer Alsaiari, Mamdouh Allahyani, Zainab, Syed Adnan Ali Shah, Najeeb Ur Rahman & Manzoor Ahmad. (2023) New acetylcholinesterase inhibitors isolated from Delphinium uncinatum. Arabian Journal of Chemistry 16:1, pages 104408.
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Eslam B. Elkaeed, Ehsan Ullah Mughal, Samia Kausar, Hanan A. Al-ghulikah, Nafeesa Naeem, Ataf Ali Altaf & Amina Sadiq. (2022) Theoretical vibrational spectroscopy (FT-IR), PED and DFT calculations of chromones and thiochromones. Journal of Molecular Structure 1270, pages 133972.
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Rami J. Obaid, Nafeesa Naeem, Ehsan Ullah Mughal, Munirah M. Al-Rooqi, Amina Sadiq, Rabab S. Jassas, Ziad Moussa & Saleh A. Ahmed. (2022) Inhibitory potential of nitrogen, oxygen and sulfur containing heterocyclic scaffolds against acetylcholinesterase and butyrylcholinesterase. RSC Advances 12:31, pages 19764-19855.
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Ehsan Ullah Mughal, Jamshaid Ashraf, Essam M. Hussein, Yasir Nazir, Abdulaziz S. Alwuthaynani, Nafeesa Naeem, Amina Sadiq, Reem I. Alsantali & Saleh A. Ahmed. (2022) Design, Synthesis, and Structural Characterization of Thioflavones and Thioflavonols as Potential Tyrosinase Inhibitors: In Vitro and In Silico Studies. ACS Omega 7:20, pages 17444-17461.
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Burcu Tezcan, Yetkin Gök, Resul Sevinçek, Parham Taslimi, Tugba Taskin‐Tok, Aydın Aktaş, Bilgehan Güzel, Muhittin Aygün & İlhami Gülçin. (2022) Benzimidazolium salts bearing the trifluoromethyl group as organofluorine compounds: Synthesis, characterization, crystal structure, in silico study, and inhibitory profiles against acetylcholinesterase and α‐glycosidase. Journal of Biochemical and Molecular Toxicology 36:4.
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Rabia Mehmood, Amina Sadiq, Reem I. Alsantali, Ehsan Ullah Mughal, Meshari A. Alsharif, Nafeesa Naeem, Asif Javid, Munirah M. Al-Rooqi, Gul-e-Saba Chaudhry & Saleh A. Ahmed. (2022) Synthesis and Evaluation of 1,3,5-Triaryl-2-Pyrazoline Derivatives as Potent Dual Inhibitors of Urease and α-Glucosidase Together with Their Cytotoxic, Molecular Modeling and Drug-Likeness Studies. ACS Omega 7:4, pages 3775-3795.
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Imran Shafique, Aamer Saeed, Atteeque Ahmed, Ghulam Shabir, Anwar Ul-Hamıd, Ajmal Khan, Burak Tüzün, Mahinur Kirici, Parham Taslimi & Muhammad Latif. (2022) Exploring the multi-target enzyme inhibition potential of new sulfonamido-thiazoline derivatives; synthesis and computational studies. Results in Chemistry 4, pages 100656.
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