In silico and in vitro studies of thiosemicarbazone-indole hybrid compounds as potent α-glycosidase inhibitors

Probing ferrocene-based thiosemicarbazones and their transition metal complexes as cholinesterase inhibitors

(2020) Rifat Jawaria et al.   INORGANICA CHIMICA ACTA

Design and synthesis of new flavonols as dual ɑ-amylase and ɑ-glucosidase inhibitors: Structure-activity relationship, drug-likeness, in vitro and in silico studies

(2020) Jamshaid Ashraf et al.   JOURNAL OF MOLECULAR STRUCTURE

Anti-cancer, anti-oxidant and molecular docking studies of thiosemicarbazone indole-based derivatives

(2019) Zohreh Bakherad et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Design and synthesis of novel cytotoxic indole-thiosemicarbazone derivatives: biological evaluation and docking study

(2019) lotfoallah saghaie et al.   CHEMISTRY & BIODIVERSITY

Novel C-2 Symmetric Molecules as α-Glucosidase and α-Amylase Inhibitors: Design, Synthesis, Kinetic Evaluation, Molecular Docking and Pharmacokinetics

(2019) Danish Shahzad et al.   MOLECULES

New thiosemicarbazide-1,2,3-triazole hybrids as potent α-glucosidase inhibitors: Design, synthesis, and biological evaluation

(2019) Zohreh Bakherad et al.   JOURNAL OF MOLECULAR STRUCTURE

Triazoloquinazolines as a new class of potent α-glucosidase inhibitors: in vitro evaluation and docking study

(2019) Hatem A. Abuelizz et al.   PLoS One

Synthesis, in vitro alpha-glucosidase inhibitory potential of benzimidazole bearing bis-Schiff bases and their molecular docking study

(2019) Fazal Rahim et al.   BIOORGANIC CHEMISTRY

Synthesis of Novel Triazinoindole-Based Thiourea Hybrid: A Study on α-Glucosidase Inhibitors and Their Molecular Docking

(2019) Taha et al.   MOLECULES

Synthesis, α- glucosidase inhibition and molecular docking study of coumarin based derivatives

(2018) Muhammad Taha et al.   BIOORGANIC CHEMISTRY

Catalytic asymmetric synthesis of indole derivatives as novel α -glucosidase inhibitors in vitro

(2018) Mohammad Shahidul Islam et al.   BIOORGANIC CHEMISTRY

Design, synthesis, docking study, α-glucosidase inhibition, and cytotoxic activities of acridine linked to thioacetamides as novel agents in treatment of type 2 diabetes

(2018) Maryam Mohammadi-Khanaposhtani et al.   BIOORGANIC CHEMISTRY

Synthesis, in vitro α-glucosidase inhibitory potential and molecular docking study of thiadiazole analogs

(2018) Muhammad Tariq Javid et al.   BIOORGANIC CHEMISTRY

New 6-amino-pyrido[2,3- d ]pyrimidine-2,4-diones as novel agents to treat type 2 diabetes: A simple and efficient synthesis, α -glucosidase inhibition, molecular modeling and kinetic study

(2018) Mehdi Adib et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Synthesis, crystal structure, molecular docking studies and bio-evaluation of some N4-benzyl-substituted isatin- 3-thiosemicarbazones as urease and glycation inhibitors

(2018) Humayun Pervez et al.   HETEROCYCLIC COMMUNICATIONS

Combinatorial peptide library screening for discovery of diverse α-glucosidase inhibitors using molecular dynamics simulations and binary QSAR models

(2018) Adriano Mollica et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Identification of COX-2 inhibitors via structure-based virtual screening and molecular dynamics simulation

(2018) Nima Razzaghi-Asl et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Identification and analyses of natural compounds as potential inhibitors of TRAF6-Basigin interactions in melanoma using structure-based virtual screening and molecular dynamics simulations

(2018) Ria Biswas et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Imidazole-pyrazole hybrids: Synthesis, characterization and in-vitro bioevaluation against α-glucosidase enzyme with molecular docking studies

(2018) Faryal Chaudhry et al.   BIOORGANIC CHEMISTRY

Anti-HIV-1 Activity Prediction of Novel Gp41 Inhibitors Using Structure-Based Virtual Screening and Molecular Dynamics Simulation

(2016) Saghi Sepehri et al.   Molecular Informatics

Integrating docking and molecular dynamics approaches for a series of proline-based 2,5-diketopiperazines as novel αβ-tubulin inhibitors

(2015) Najmeh Fani et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular dynamics simulation and free energy calculation studies of kinase inhibitors binding to active and inactive conformations of VEGFR-2

(2015) XiaoYun Wu et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Computational design of Tryprostatin-A derivatives as novel αβ-tubulin inhibitors

(2014) N. Fani et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Triarylimidazoles-synthesis of 3-(4,5-diaryl-1H-imidazol-2-yl)-2-phenyl-1H-indole derivatives as potent α-glucosidase inhibitors

(2014) Sadia Naureen et al.   MEDICINAL CHEMISTRY RESEARCH

Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set

(2014) Huiyong Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synthesis, molecular modeling and biological evaluation of chalcone thiosemicarbazide derivatives as novel anticancer agents

(2011) Hong-Jia Zhang et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

In vitro cytotoxic, antibacterial, antifungal and urease inhibitory activities of some N4- substituted isatin-3-thiosemicarbazones

(2008) Humayun Pervez et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Discovery of novel α-glucosidase inhibitors based on the virtual screening with the homology-modeled protein structure

(2007) Hwangseo Park et al.   BIOORGANIC & MEDICINAL CHEMISTRY