Molecular modeling and structure–activity relationships for a series of benzimidazole derivatives as cruzain inhibitors
… QSAR, comparative molecular field analysis and comparative molecular similarity index …
the QSAR models to guide the design of structurally related benzimidazole derivatives with …
the QSAR models to guide the design of structurally related benzimidazole derivatives with …
[PDF][PDF] Synthesis, molecular modeling study, preliminary antitumor and antimicrobial evaluation of new benzimidazole derivatives
SM Bayomi, AR Maarouf, NI Abdel-Aziz… - Journal of American …, 2013 - researchgate.net
… in the present work with benzimidazole derivatives. Benzimidazoles were widely explored
for … Varied substituents around the benzimidazole nucleus have provided a large number of …
for … Varied substituents around the benzimidazole nucleus have provided a large number of …
Density functional theory molecular modeling, chemical synthesis, and antimicrobial behaviour of selected benzimidazole derivatives
M Marinescu, DG Tudorache, GI Marton… - Journal of Molecular …, 2017 - Elsevier
… All benzimidazole derivatives are evaluated … ) modeling of the molecular structure and
frontier molecular orbitals, ie highest occupied molecular orbital and lowest unoccupied molecular …
frontier molecular orbitals, ie highest occupied molecular orbital and lowest unoccupied molecular …
Synthesis, biological activity and molecular modeling studies on 1H-benzimidazole derivatives as acetylcholinesterase inhibitors
AS Alpan, S Parlar, L Carlino, AH Tarikogullari… - Bioorganic & medicinal …, 2013 - Elsevier
… In this study, we synthesized twenty benzimidazole derivatives bearing different … o-phenylenediamine
analogues to obtain 4-(1H-benzimidazole-2-yl)phenol derivatives (1–3). Finally, …
analogues to obtain 4-(1H-benzimidazole-2-yl)phenol derivatives (1–3). Finally, …
1H-benzimidazole derivatives as butyrylcholinesterase inhibitors: synthesis and molecular modeling studies
G Coban, L Carlino, AH Tarikogullari, S Parlar… - Medicinal Chemistry …, 2016 - Springer
A series of N-{2-[2-(1H-benzimidazole-2-yl)phenoxy]ethyl} substituted amine derivatives were
synthesized and tested for their cholinesterase inhibitor activity. Acetylcholinesterase and …
synthesized and tested for their cholinesterase inhibitor activity. Acetylcholinesterase and …
Molecular modeling of some 1H-benzimidazole derivatives with biological activity against Entamoeba histolytica: a comparative molecular field analysis study
F López-Vallejo, JL Medina-Franco… - Bioorganic & Medicinal …, 2007 - Elsevier
… of a set of 41 1H-benzimidazole derivatives (cf., Table 1), in this … QSAR or affinity
receptor–ligand models, 15 this paper deals with a … tautomer of several 1H-benzimidazoles under …
receptor–ligand models, 15 this paper deals with a … tautomer of several 1H-benzimidazoles under …
Molecular modeling and QSAR studies of a set of indole and benzimidazole derivatives as H4 receptor antagonists
JPS Fernandes, KFM Pasqualoto, EI Ferreira… - … of molecular modeling, 2011 - Springer
… In this work, molecular modeling and QSAR studies of a set of 30 compounds, indole and
benzimidazole derivatives, as H 4 R antagonists were performed. The QSAR models were built …
benzimidazole derivatives, as H 4 R antagonists were performed. The QSAR models were built …
Molecular modeling studies on benzimidazole carboxamide derivatives as PARP‐1 inhibitors using 3D‐QSAR and docking
H Zeng, H Zhang, F Jang, L Zhao… - Chemical Biology & …, 2011 - Wiley Online Library
… in which a benzimidazole carboxamide scaffold with … the benzimidazole system resulted in
a significant improvement in enzyme and/or cellular potency. In this work, molecular modeling …
a significant improvement in enzyme and/or cellular potency. In this work, molecular modeling …
Synthesis, pharmacological activity evaluation and molecular modeling of new polynuclear heterocyclic compounds containing benzimidazole derivatives
FA Bassyouni, TS Saleh, MM ElHefnawi… - Archives of pharmacal …, 2012 - Springer
… benzimidazole derivatives were synthesized from 2-(1Hbenzimidazol-2-yl) acetonitrile (1)
and arylhydrazononitrile derivative 2 was … hydrochloride to give amidooxime derivative 3. This …
and arylhydrazononitrile derivative 2 was … hydrochloride to give amidooxime derivative 3. This …
Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation …
… 72 molecular descriptors for the 37 benzimidazole derivatives, and … MLR models that we got
more than 20 models internally … The majority of the molecular models obtained show that the …
more than 20 models internally … The majority of the molecular models obtained show that the …
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