Synthesis, anti-diabetic and in silico QSAR analysis of flavone hydrazide Schiff base derivatives

by Jamil W.; Shaikh J.; Yousuf M.; Taha M.; Khan K.M.; Shah S.A.A.
Published in Journal of Biomolecular Structure and Dynamics (2022)

Molecular docking and dynamics simulations revealed the potential inhibitory activity of honey-iQfood ingredients against GSK-3β and CDK5 protein targets for brain health

by Zakaria N.H.; Mohamed Tap F.; Aljohani G.F.; Abdul Majid F.A.
Published in Journal of Biomolecular Structure and Dynamics (2023)

Novel hydrazone schiff’s base derivatives of polyhydroquinoline: synthesis, in vitro prolyl oligopeptidase inhibitory activity and their Molecular docking study

by Talab F.; Alam A.; Zainab; Ullah S.; Elhenawy A.A.; Shah S.A.A.; Ali M.; Halim S.A.; Khan A.; Latif A.; Al-Harrasi A.; Ahmad M.
Published in Journal of Biomolecular Structure and Dynamics (2024)

Virtual screening of bioactive anti-SARS-CoV natural products and identification of 3β,12-diacetoxyabieta-6,8,11,13-tetraene as a potential inhibitor of SARS-CoV-2 virus and its in...

by Huq A.K.M.M.; Roney M.; Imran S.; Khan S.U.; Uddin M.N.; Htar T.T.; Baig A.A.; Bhuiyan M.A.; Zakaria Z.A.; Aluwi M.F.F.M.; Tajuddin S.N.
Published in Journal of Biomolecular Structure and Dynamics (2023)

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 in Journal of Biomolecular Structure and Dynamics (2023)

Insight parameter drug design for human β-tryptase inhibition integrated molecular docking, QSAR, molecular dynamics simulation, and pharmacophore modelling studies of α-keto-[1,2,...

by Yu C.X.; Tan J.W.; Rullah K.; Imran S.; Tham C.L.
Published in Journal of Biomolecular Structure and Dynamics (2023)

Synthesis of new urease enzyme inhibitors as antiulcer drug and computational study

by Taha M.; Ismail S.; Imran S.; Almandil N.B.; Alomari M.; Rahim F.; Uddin N.; Hayat S.; Zaman K.; Ibrahim M.; Alghanem B.; Islam I.; Farooq R.K.; Boudjelal M.; Khan K.M.
Published in Journal of Biomolecular Structure and Dynamics (2022)

Molecular docking and molecular dynamic simulations of apoptosis proteins with potential anticancer compounds present in Clinacanthus nutans extract using gas chromatography–mass s...

by Ismail N.Z.; Mohamed W.A.S.; Ab. Rahim N.; Hashim N.M.; Adebayo I.A.; Mohamad Zain N.N.; Arsad H.
Published in Journal of Biomolecular Structure and Dynamics (2023)