| Title : 3D-QSAR-based pharmacophore modelling of quinazoline derivatives for the identification of acetylcholinesterase inhibitors through virtual screening, molecular docking, molecular dynamics and DFT studies - Kumar_2024_J.Biomol.Struct.Dyn__1 |
| Author(s) : Kumar V , Jangid K , Kumar N |
| Ref : J Biomol Struct Dyn , :1 , 2024 |
| Abstract : Kumar_2024_J.Biomol.Struct.Dyn__1 |
| ESTHER : Kumar_2024_J.Biomol.Struct.Dyn__1 |
| PubMedSearch : Kumar_2024_J.Biomol.Struct.Dyn__1 |
| PubMedID: 38329085 |
| Title : Identification of coumarin derivatives targeting acetylcholinesterase for Alzheimer's disease by field-based 3D-QSAR, pharmacophore model-based virtual screening, molecular docking, MM\/GBSA, ADME and MD Simulation study - Saha_2024_Curr.Res.Struct.Biol_7_100124 |
| Author(s) : Saha B , Das A , Jangid K , Kumar A , Kumar V , Jaitak V |
| Ref : Curr Res Struct Biol , 7 :100124 , 2024 |
| Abstract : Saha_2024_Curr.Res.Struct.Biol_7_100124 |
| ESTHER : Saha_2024_Curr.Res.Struct.Biol_7_100124 |
| PubMedSearch : Saha_2024_Curr.Res.Struct.Biol_7_100124 |
| PubMedID: 38292820 |
| Title : Virtual screening and molecular dynamics simulation approach for the identification of potential multi-target directed ligands for the treatment of Alzheimer's disease - Jangid_2023_J.Biomol.Struct.Dyn__1 |
| Author(s) : Jangid K , Devi B , Sahoo A , Kumar V , Dwivedi AR , Thareja S , Kumar R |
| Ref : J Biomol Struct Dyn , :1 , 2023 |
| Abstract : Jangid_2023_J.Biomol.Struct.Dyn__1 |
| ESTHER : Jangid_2023_J.Biomol.Struct.Dyn__1 |
| PubMedSearch : Jangid_2023_J.Biomol.Struct.Dyn__1 |
| PubMedID: 37114423 |
| Title : Structure-based Virtual Screening and Molecular Dynamic Simulation Approach for the Identification of Terpenoids as Potential DPP-4 Inhibitors - P_2023_Curr.Comput.Aided.Drug.Des__ |
| Author(s) : P AA , Kumar A , Jangid K , Kumar V , Jaitak V |
| Ref : Curr Comput Aided Drug Des , : , 2023 |
| Abstract : P_2023_Curr.Comput.Aided.Drug.Des__ |
| ESTHER : P_2023_Curr.Comput.Aided.Drug.Des__ |
| PubMedSearch : P_2023_Curr.Comput.Aided.Drug.Des__ |
| PubMedID: 37190809 |