Synthesis, biological evaluation, molecular docking and dynamic simulation of novel benzofuran derivatives as potential agents against Alzheimer's disease

QR Code

Synthesis, biological evaluation, molecular docking and dynamic simulation of novel benzofuran derivatives as potential agents against Alzheimer's disease

We have synthesized novel benzofuran derivatives (1-20), 1-20 ), characterized through different spectroscopic techniques such as 1 HNMR, 13 CNMR, HREI-MS and screened against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzymes. All derivatives showed inhibitory activities having I...

Full description

Bibliographic Details
Published in:	JOURNAL OF MOLECULAR STRUCTURE
Main Authors:	Nadeem, Muhammad Shahid; Hayat, Shawkat; Rahim, Fazal; Khan, Jalaluddin Azam; Ullah, Hayat; Taha, Muhammad; Gupta, Gaurav; Wadood, Abdul; Shah, Syed Adnan Ali; Kazmi, Imran; Iftikhar, Saima; Muhammad, Khushi
Format:	Article
Language:	English
Published:	ELSEVIER 2025
Subjects:	Chemistry
Online Access:	https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-record/WOS:001335294600001

Similar Items

Synthesis, biological evaluation, molecular docking and dynamic simulation of novel benzofuran derivatives as potential agents against Alzheimer's disease
by: Nadeem M.S.; Hayat S.; Rahim F.; Khan J.A.; Ullah H.; Taha M.; Gupta G.; Wadood A.; Shah S.A.A.; Kazmi I.; Iftikhar S.; Muhammad K.
Published: (2025)

Synthesis, In Vitro Biological Evaluation and Molecular Modeling of Benzimidazole-Based Pyrrole/Piperidine Hybrids Derivatives as Potential Anti-Alzheimer Agents
by: Tariq, et al.
Published: (2024)

Synthesis, biological evaluation and molecular docking study of indazole based schiff base analogues as new anti-diabetic inhibitors
by: Taha, et al.
Published: (2024)

Synthesis, biological evaluation and molecular docking study of oxindole based chalcone analogues as potent anti-Alzheimer agents
by: Taha M.; Sadia H.; Rahim F.; Khan M.I.; Hayat S.; Iqbal N.; Nawaz F.; Ullah H.; Zada H.; Shah S.A.A.; Wadood A.; Farooq R.K.; Khan K.M.
Published: (2023)

Synthesis and biological evaluation of substituted benzohydrazide Schiff base adduct as potential cholinesterase inhibitors
by: Zulfiqar, et al.
Published: (2024)

Synthesis of Benzofuran–based Schiff bases as anti-diabetic compounds and their molecular docking studies
by: Adalat B.; Rahim F.; Taha M.; Hayat S.; Iqbal N.; Ali Z.; Shah S.A.A.; Wadood A.; Rehman A.U.; Khan K.M.
Published: (2022)

Synthesis, biological and computational evaluation of benzoxazole hybrid analogs as potential anti-Alzheimer's agents
by: Othman M.S.; Hussain R.; Rahim F.; Ullah H.; Khan S.; Taha M.; Fareid M.A.; Altaleb A.T.; Aboelnaga S.M.; Shah S.A.A.
Published: (2024)

Synthesis, In Vitro Biological Evaluation and Molecular Modeling of Benzimidazole-Based Pyrrole/Piperidine Hybrids Derivatives as Potential Anti-Alzheimer Agents
by: Tariq S.; Rahim F.; Ullah H.; Sarfraz M.; Hussain R.; Khan S.; Khan M.U.; Rehman W.; Hussain A.; Bhat M.A.; Farooqi M.K.; Shah S.A.A.; Iqbal N.
Published: (2024)

Synthesis, in vitro urease inhibitory potential and molecular docking study of benzofuran-based-thiazoldinone analogues
by: Taha M.; Rahim F.; Ullah H.; Wadood A.; Farooq R.K.; Shah S.A.A.; Nawaz M.; Zakaria Z.A.
Published: (2020)

New benzimidazole based Schiff bases as potent anti-alzheimer agents: Synthesis, bio-evaluation and molecular docking study
by: Othman M.S.; Hayat S.; Rahim F.; Taha M.; Sajid M.; Khan S.; Iqbal W.; Shah S.A.A.; Fareid M.A.; Aboelnaga S.M.; Abdel-Hafez L.J.; Hafez M.M.
Published: (2024)

Synthesis, in vitro biological screening and docking study of benzo[d]oxazole bis Schiff base derivatives as a potent anti-Alzheimer agent
by: Taha M.; Rahim F.; Zaman K.; Anouar E.H.; Uddin N.; Nawaz F.; Sajid M.; Khan K.M.; Shah A.A.; Wadood A.; Rehman A.U.; Alhibshi A.H.
Published: (2023)

Synthesis, biological evaluation and molecular docking study of benzimidazole derivatives as α-glucosidase inhibitors and anti-diabetes candidates
by: Hayat S.; Ullah H.; Rahim F.; Ullah I.; Taha M.; Iqbal N.; Khan F.; Khan M.S.; Shah S.A.A.; Wadood A.; Sajid M.; Abdalla A.N.
Published: (2023)

Synthesis and in vitro study of benzofuran hydrazone derivatives as novel alpha-amylase inhibitor
by: Taha M.; Shah S.A.A.; Imran S.; Afifi M.; Chigurupati S.; Selvaraj M.; Rahim F.; Ullah H.; Zaman K.; Vijayabalan S.
Published: (2017)

Biologically Potent Benzimidazole-Based-Substituted Benzaldehyde Derivatives as Potent Inhibitors for Alzheimer’s Disease along with Molecular Docking Study
by: Adalat B.; Rahim F.; Rehman W.; Ali Z.; Rasheed L.; Khan Y.; Farghaly T.A.; Shams S.; Taha M.; Wadood A.; Shah S.A.A.; Abdellatif M.H.
Published: (2023)

Synthesis, DFT Studies, Molecular Docking and Biological Activity Evaluation of Thiazole-Sulfonamide Derivatives as Potent Alzheimer’s Inhibitors
by: Khan S.; Ullah H.; Taha M.; Rahim F.; Sarfraz M.; Iqbal R.; Iqbal N.; Hussain R.; Ali Shah S.A.; Ayub K.; Albalawi M.A.; Abdelaziz M.A.; Alatawi F.S.; Khan K.M.
Published: (2023)

Synthesis, biological evaluation and molecular docking study of indazole based schiff base analogues as new anti-diabetic inhibitors
by: Taha M.; Gilani S.J.; Kazmi I.; Rahim F.; Adalat B.; Ullah H.; Nawaz F.; Wadood A.; Ali Z.; Shah S.A.A.; Khan K.M.
Published: (2024)

Multipotent Cholinesterase Inhibitors for the Treatment of Alzheimer’s Disease: Synthesis, Biological Analysis and Molecular Docking Study of Benzimidazole-Based Thiazole Derivatives
by: Hussain R.; Ullah H.; Rahim F.; Sarfraz M.; Taha M.; Iqbal R.; Rehman W.; Khan S.; Shah S.A.A.; Hyder S.; Alhomrani M.; Alamri A.S.; Abdulaziz O.; Abdelaziz M.A.
Published: (2022)

Domperidone nanocrystals with boosted oral bioavailability: fabrication, evaluation and molecular insight into the polymer-domperidone nanocrystal interaction(vol9, pg284, 2019)
by: Ndlovu, et al.
Published: (2024)

Exploration of synthetic multifunctional amides as new therapeutic agents for Alzheimer's disease through enzyme inhibition, chemoinformatic properties, molecular docking and dynamic simulation insights
by: Hassan M.; Abbasi M.A.; Aziz-ur-Rehman; Siddiqui S.Z.; Hussain G.; Shah S.A.A.; Shahid M.; Seo S.-Y.
Published: (2018)

Synthesis, In Vitro Enzymatic Inhibition, and Molecular Modeling of Novel Piperazine-Based Bis-Schiff Base Derivatives as Promising Anti-urease Agents
by: Masood, et al.
Published: (2024)

Synthesis, in vitro α-glucosidase activity and in silico molecular docking study of isatin analogues
by: Ullah H.; Rahim F.; Ullah E.; Hayat S.; Zada H.; Khan F.; Wadood A.; Nawaz F.; Rehman Z.U.; Shah S.A.A.
Published: (2023)

Forensic Science Research on the Web of Science Database Over 22 Years: A Bibliometric Analysis
by: Issrani, et al.
Published: (2024)

Synthesis, molecular docking, acetylcholinesterase and butyrylcholinesterase inhibitory potential of thiazole analogs as new inhibitors for Alzheimer disease
by: Rahim F.; Javed M.T.; Ullah H.; Wadood A.; Taha M.; Ashraf M.; Qurat-Ul-Ain; Khan M.A.; Khan F.; Mirza S.; Khan K.M.
Published: (2015)

Investigation of novel benzimidazole-based indole/thiazole hybrids derivatives as effective anti-diabetics and anti-alzheimer's agents: Structure-activity relationship insight, in vitro and in silico approaches
by: Naz H.; Othman M.S.; Rahim F.; Hussain R.; Khan S.; Taha M.; Hafez M.M.; Abdel-Hafez L.J.; Ullah H.; Khan I.U.; Khan Y.; Shah S.A.A.
Published: (2024)

Screening actinomycetes as biological control agents against the Dickeya zeae, causal agent of bacterial heart rot of pineapple
by: Hussin M.H.; Asmadi M.A.; Ab Wahab M.Z.; Sapak Z.; Noor N.M.
Published: (2024)

Chemical Constituents and Biological Activities of Piper as Anticancer Agents: A Review
by: Woon C.K.; Ahmad F.B.; Zamakshshari N.H.
Published: (2023)

Development of N-alkylated benzimidazole based cubosome hydrogel for topical treatment of burns
by: Nawaz, et al.
Published: (2024)

Development of N-alkylated benzimidazole based cubosome hydrogel for topical treatment of burns (vol 14, pg 32008, 2024)
by: Nawaz, et al.
Published: (2024)

Synthesis of new S-substituted derivatives of 5-[3-(1H-indol-3-yl) propyl]-1, 3, 4-oxadiazol-2-ylhydrosulfide as suitable antibacterial and anticancer agents with moderate cytotoxicity
by: Nazir M.; Abbasi M.A.; Aziz-Ur-Rehman; Siddiqui S.Z.; Shah S.A.A.; Shahid M.; Fatima H.; Iftikhar S.; Saleem R.S.Z.
Published: (2019)

Synthesis, spectral analysis and biological evaluation of N-alkyl/aralkyl/aryl-4-chlorobenzenesulfonamide derivatives
by: Aziz-Ur-Rehman; Abbasi M.A.; Siddiqui S.Z.; Mohyuddin A.; Nadeem S.; Shah S.A.A.
Published: (2016)

Pyridylpiperazine-based carbodithioates as urease inhibitors: synthesis and biological evaluation
by: Akash, et al.
Published: (2024)

Triazinoindole analogs as potent inhibitors of α-glucosidase: Synthesis, biological evaluation and molecular docking studies
by: Rahim F.; Ullah K.; Ullah H.; Wadood A.; Taha M.; Rehman A.U.; Uddin I.; Ashraf M.; Shaukat A.; Rehman W.; Hussain S.; Khan K.M.
Published: (2015)

Molecular docking, synthesis and biological significance of pyrimidine analogues as prospective antimicrobial and antiproliferative agents
by: Kumar S.; Kaushik A.; Narasimhan B.; Shah S.A.A.; Lim S.M.; Ramasamy K.; Mani V.
Published: (2019)

Design, synthesis and biological profile of heterocyclic benzimidazole analogues as prospective antimicrobial and antiproliferative agents
by: Tahlan S.; Kumar S.; Ramasamy K.; Lim S.M.; Shah S.A.A.; Mani V.; Pathania R.; Narasimhan B.
Published: (2019)

Design, synthesis and biological potential of heterocyclic benzoxazole scaffolds as promising antimicrobial and anticancer agents
by: Kakkar S.; Kumar S.; Narasimhan B.; Lim S.M.; Ramasamy K.; Mani V.; Shah S.A.A.
Published: (2018)

Synthesis and biological evaluation of pyridylpiperazine hybrid derivatives as urease inhibitors
by: Akash, et al.
Published: (2024)

Marine Streptomyces sp. PGC 39: A treasure trove of new antimicrobial agents, macrolidycin, and pyrachlomycin
by: Ahmad, et al.
Published: (2024)

Synthesis and biological evaluation of heterocyclic 1,2,4-triazole scaffolds as promising pharmacological agents
by: Kumari M.; Tahlan S.; Narasimhan B.; Ramasamy K.; Lim S.M.; Shah S.A.A.; Mani V.; Kakkar S.
Published: (2021)

First consecutive linear synthesis of hostmaniene, 5-formyl-2- (isopropyl-l'-ol)benzofuran and anadendroic acid using prenylated phenol
by: Mohammat M.F.; Osman N.S.; Shaameri Z.; Hamzah A.S.
Published: (2017)

Synthesis of 4-thiazolidinone analogs as potent in vitro anti-urease agents
by: Rahim F.; Zaman K.; Ullah H.; Taha M.; Wadood A.; Javed M.T.; Rehman W.; Ashraf M.; Uddin R.; Uddin I.; Asghar H.; Khan A.A.; Khan K.M.
Published: (2015)