Search Results - "Saghaie, Lotfollah"

New 3-Hydroxypyridine-4-one Analogues: Their Synthesis, Antimicrobial Evaluation, Molecular Docking, and In Silico ADME Prediction by Sadeghian, Sara, Zare, Fateme, Saghaie, Lotfollah, Fassihi, Afshin, Zare, Pooria, Sabet, Razieh

“…Drug resistance to existing antimicrobial drugs has become a serious threat to human health, which highlights the need to develop new antimicrobial agents. In…”
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Homology modeling of human CCR5 and analysis of its binding properties through molecular docking and molecular dynamics simulation by Shahlaei, Mohsen, Madadkar-Sobhani, Armin, Mahnam, Karim, Fassihi, Afshin, Saghaie, Lotfollah, Mansourian, Mahboubeh

“…In this study, homology modeling, molecular docking and molecular dynamics simulation were performed to explore structural features and binding mechanism of…”
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Identification of Novel 3-Hydroxy-pyran-4-One Derivatives as Potent HIV-1 Integrase Inhibitors Using in silico Structure-Based Combinatorial Library Design Approach by Sirous, Hajar, Chemi, Giulia, Gemma, Sandra, Butini, Stefania, Debyser, Zeger, Christ, Frauke, Saghaie, Lotfollah, Brogi, Simone, Fassihi, Afshin, Campiani, Giuseppe, Brindisi, Margherita

“…We describe herein the development and experimental validation of a computational protocol for optimizing a series of 3-hydroxy-pyran-4-one derivatives as HIV…”
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Synthesis, characterization, molecular docking, antimalarial, and antiproliferative activities of benzyloxy-4-oxopyridin benzoate derivatives by Mohebi, Marjan, Fayazi, Neda, Esmaeili, Somayeh, Rostami, Mahboubeh, Bagheri, Fereshteh, Aliabadi, Alireza, Asadi, Parvin, Saghaie, Lotfollah

“…Background and purpose: Malaria and cancer are two major health issues affecting millions of lives annually. Maltol complexes and derivatives have been…”
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Synthesis, biological evaluation, molecular docking, MD simulation and DFT analysis of new 3-hydroxypyridine-4-one derivatives as anti-tyrosinase and antioxidant agents by Sadeghian, Sara, Zare, Fateme, Khoshneviszadeh, Mehdi, Hafshejani, Arian Fathi, Salahshour, Farhang, Khodabakhshloo, Ahmadreza, Saghaie, Lotfollah, Goshtasbi, Ghazal, Sarikhani, Zahra, Poustforoosh, Alireza, Sabet, Razieh, Sadeghpour, Hossein

“…In the present study, ten new substituted 3-hydroxypyridine-4-one derivatives were synthesized in a four-step method, and their chemical structures were…”
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Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives by Fassihi, Afshin, Abedi, Daryoush, Saghaie, Lotfollah, Sabet, Razieh, Fazeli, Hossein, Bostaki, Ghasem, Deilami, Omid, Sadinpour, Hekmatollah

“…A series of Mannich bases of 2-alkyl-3-hydroxy-pyridine-4-ones, namely 2-alkyl-3-hydroxy-5- N-piperidylmethyl or N,N-dialkylaminomethyl pyridine-4-ones 9, 10…”
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Synthesis and evaluation of the complex-forming ability of hydroxypyranones and hydroxypyridinones with Ni (II) as possible inhibitors for urease enzyme in Helicobacter pylori by Palizban, Abbasali, Saghaie, Lotfollah

“…The complex-forming ability of 2-methyl-3-hydroxypyran-4-one ( 1a ), 2-ethyl-3-hydroxypyran-4-one ( 1b ), 1,2-dimethyl-3-hydroxypyridin-4-one ( 4a ) and…”
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Synthesis, characterization, molecular docking studies and biological evaluation of some novel hybrids based on quinazolinone, benzofuran and imidazolium moieties as potential cytotoxic and antimicrobial agents by Asadi, Parvin, Khodarahmi, Ghadamali, Jahanian-Najafabadi, Ali, Saghaie, Lotfollah, Hassanzadeh, Farshid

“…Hybridization of bioactive natural and synthetic compounds is one of the most promising novel approaches for the design of hit and lead compounds with new…”
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Application of partial least squares and radial basis function neural networks in multivariate imaging analysis-quantitative structure activity relationship: Study of cyclin dependent kinase 4 inhibitors by Saghaie, Lotfollah, Shahlaei, Mohsen, Madadkar-Sobhani, Armin, Fassihi, Afshin

“…The detailed application of multivariate image analysis method for the evaluation of QSAR of some cyclin dependent kinase 4 inhibitors is demonstrated…”
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QSAR study of some CCR5 antagonists as anti-HIV agents using radial basis function neural network and general regression neural network on the basis of principal components by Shahlaei, Mohsen, Madadkar-Sobhani, Armin, Fassihi, Afshin, Saghaie, Lotfollah, Arkan, Elham

“…Quantitative relationships between molecular structures and bioactivities of a set of CCR5 inhibitor derivatives were discovered. We have demonstrated the…”
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Synthesis, Molecular Modelling and Biological Studies of 3-hydroxypyrane- 4-one and 3-hydroxy-pyridine-4-one Derivatives as HIV-1 Integrase Inhibitors by Sirous, Hajar, Fassihi, Afshin, Brogi, Simone, Campiani, Giuseppe, Christ, Frauke, Debyser, Zeger, Gemma, Sandra, Butini, Stefania, Chemi, Giulia, Grillo, Alessandro, Zabihollahi, Rezvan, Aghasadeghi, Mohammad R, Saghaie, Lotfollah, Memarian, Hamid R

“…Despite the progress in the discovery of antiretroviral compounds for treating HIV-1 infection by targeting HIV integrase (IN), a promising and well-known drug…”
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Recent Advances in the Design and Development of Non‐nucleoside Reverse Transcriptase Inhibitor Scaffolds by Shirvani, Pouria, Fassihi, Afshin, Saghaie, Lotfollah

“…Non‐nucleoside reverse transcriptase inhibitors (NNRTIs) have always been an important part of the anti‐HIV‐1 combination therapy known as combination…”
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Optimization of a methodology for determination of iron concentration in aqueous samples using a newly synthesized chelating agent in dispersive liquid-liquid microextraction by Borzoei, Mohammad, Zanjanchi, Mohammad Ali, Sadeghi-aliabadi, Hojjat, Saghaie, Lotfollah

“…•This study was to use a 3-OH-PMPO (as a chelating agent), for Iron determination in DLLME method.•The initial optimization was carried out by one variable at…”
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Design, synthesis, in silico studies, and antiproliferative evaluations of novel indolin-2-one derivatives containing 3-hydroxy-4-pyridinone fragment by Shirvani, Pouria, Fayyazi, Neda, Van Belle, Siska, Debyser, Zeger, Christ, Frauke, Saghaie, Lotfollah, Fassihi, Afshin

“…[Display omitted] •A series of indolin-2-one derivatives with the 3-hydroxy-4-pyridinone moiety were designed and synthesized.•The in vitro cytotoxicity of the…”
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Anti‐HIV‐1 Activity Prediction of Novel Gp41 Inhibitors Using Structure‐Based Virtual Screening and Molecular Dynamics Simulation by Sepehri, Saghi, Saghaie, Lotfollah, Fassihi, Afshin

“…The fusion of viral and host cell membranes is mediated using gp41 subunit of the human immunodeficiency virus type 1 (HIV‐1) envelope glycoprotein. As the…”
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Molecular dynamics simulation and 3D-pharmacophore analysis of new quinoline-based analogues with dual potential against EGFR and VEGFR-2 by Fayyazi, Neda, Fassihi, Afshin, Esmaeili, Somayeh, Taheri, Salman, Ghasemi, Jahan B., Saghaie, Lotfollah

“…[Display omitted] •Novel 4-aminoquinoline derivatives as EGFR and VEGFR-2 dual inhibitors are presented.•Molecular modeling has confirmed the dual inhibitory…”
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Application of PC-ANN and PC-LS-SVM in QSAR of CCR1 antagonist compounds: A comparative study by Shahlaei, Mohsen, Fassihi, Afshin, Saghaie, Lotfollah

“…Principal component regression (PCR), principal component-artificial neural network (PC-ANN), and principal component-least squares-support vector machine…”
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Synthesis of Deferiprone as a Widely Used Iron-Chelating Drug for the Treatment of Iron-Overload Diseases by Sara Sadeghian, Fateme Zare, Lotfollah Saghaie, Razieh Sabet

“…Thalassemia is a genetic disease that significantly affects human health. The common treatment of thalassemia is the regular injection of red blood cell, which…”
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Synthesis, anti-HIV-1 and antiproliferative evaluation of novel 4-nitroimidazole derivatives combined with 5-hydroxy-4-pyridinone moiety by Shirvani, Pouria, Fassihi, Afshin, Saghaie, Lotfollah, Van Belle, Siska, Debyser, Zeger, Christ, Frauke

“…In an effort to synthesize more effective non-nucleoside reverse transcriptase inhibitors (NNRTIs) against the HIV-1 infection, a new series of novel…”
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Application of an expert system based on Genetic Algorithm–Adaptive Neuro-Fuzzy Inference System (GA–ANFIS) in QSAR of cathepsin K inhibitors by Shahlaei, Mohsen, Madadkar-Sobhani, Armin, Saghaie, Lotfollah, Fassihi, Afshin

“…► An expert system is developed based on ANFIS and Genetic Algorithm (GA). ► Combination of Genetic Algorithm and ANFIS in QSAR studies is very rare. ► Based…”
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