These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
139 related articles for article (PubMed ID: 38912325)
1. ACE inhibitors from Yue G; Gu H; Zhang K; Song Y; Hao Y In Silico Pharmacol; 2024; 12(2):59. PubMed ID: 38912325 [TBL] [Abstract][Full Text] [Related]
2. Virtual screening of acetylcholinesterase inhibitors through pharmacophore-based 3D-QSAR modeling, ADMET, molecular docking, and MD simulation studies. Kumar H; Datusalia AK; Khatik GL In Silico Pharmacol; 2024; 12(1):13. PubMed ID: 38370859 [TBL] [Abstract][Full Text] [Related]
3. 3D QSAR, Docking, Molecular Dynamics Simulations and MM-GBSA studies of Extended Side Chain of the Antitubercular Drug (6S) 2-Nitro-6- {[4-(trifluoromethoxy) benzyl] oxy}-6,7-dihydro-5H-imidazo[2,1-b] [1,3] oxazine. Chaudhari HK; Pahelkar A Infect Disord Drug Targets; 2019; 19(2):145-166. PubMed ID: 30324898 [TBL] [Abstract][Full Text] [Related]
4. Structural Investigation of Vinca Domain Tubulin Binders by Pharmacophore, Atom based QSAR, Docking and Molecular Dynamics Simulations. Athar M; Lone MY; Khedkar VM; Radadiya A; Shah A; Jha PC Comb Chem High Throughput Screen; 2017; 20(8):682-695. PubMed ID: 28486912 [TBL] [Abstract][Full Text] [Related]
5. Pharmacophore-based virtual screening, molecular docking and molecular dynamics studies for the discovery of novel neuraminidase inhibitors. Lotfi B; Mebarka O; Khan SU; Htar TT J Biomol Struct Dyn; 2024 Jul; 42(10):5308-5320. PubMed ID: 37334701 [TBL] [Abstract][Full Text] [Related]
6. Computational investigation of imidazo[2,1-b]oxazole derivatives as potential mutant BRAF kinase inhibitors: 3D-QSAR, molecular docking, molecular dynamics simulation, and ADMETox studies. Boutalaka M; El Bahi S; Alaqarbeh M; El Alaouy MA; Koubi Y; Khatabi KE; Maghat H; Bouachrine M; Lakhlifi T J Biomol Struct Dyn; 2024 Jul; 42(10):5268-5287. PubMed ID: 37424193 [TBL] [Abstract][Full Text] [Related]
7. Prediction of Novel Anoctamin1 (ANO1) Inhibitors Using 3D-QSAR Pharmacophore Modeling and Molecular Docking. Lee YH; Yi GS Int J Mol Sci; 2018 Oct; 19(10):. PubMed ID: 30336555 [TBL] [Abstract][Full Text] [Related]
8. 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, MD simulations, in vitro and in vivo studies to identify potential anti-hyperplasia drugs. Khan MZI; Khan D; Akbar MY; Wang H; Haq IU; Chen JZ Biotechnol J; 2024 Feb; 19(2):e2300437. PubMed ID: 38403464 [TBL] [Abstract][Full Text] [Related]
9. QSAR, homology modeling, and docking simulation on SARS-CoV-2 and pseudomonas aeruginosa inhibitors, ADMET, and molecular dynamic simulations to find a possible oral lead candidate. Edache EI; Uzairu A; Mamza PA; Shallangwa GA J Genet Eng Biotechnol; 2022 Dec; 20():88. PubMed ID: 35730025 [TBL] [Abstract][Full Text] [Related]
10. A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study. Choubey SK; Jeyaraman J J Mol Graph Model; 2016 Nov; 70():54-69. PubMed ID: 27668885 [TBL] [Abstract][Full Text] [Related]
11. 3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Dynamics Simulations for the Identification of Spleen Tyrosine Kinase Inhibitors. Kumar V; Parate S; Danishuddin ; Zeb A; Singh P; Lee G; Jung TS; Lee KW; Ha MW Front Cell Infect Microbiol; 2022; 12():909111. PubMed ID: 35846777 [TBL] [Abstract][Full Text] [Related]
12. Identification of PLK1-PBD Inhibitors from the Library of Marine Natural Products: 3D QSAR Pharmacophore, ADMET, Scaffold Hopping, Molecular Docking, and Molecular Dynamics Study. Zhou N; Zheng C; Tan H; Luo L Mar Drugs; 2024 Feb; 22(2):. PubMed ID: 38393054 [TBL] [Abstract][Full Text] [Related]
13. A Combined Approach of Pharmacophore Modeling, QSAR Study, Molecular Docking and In silico ADME/Tox Prediction of 4-Arylthio & 4-Aryloxy-3- Iodopyridine-2(1H)-one Analogs to Identify Potential Reverse Transcriptase Inhibitor: Anti-HIV Agents. Panigrahi D; Mishra A; Sahu SK; Azam MA; Vyshaag CM Med Chem; 2022; 18(1):51-87. PubMed ID: 33319692 [TBL] [Abstract][Full Text] [Related]
14. Ligand-based pharmacophore modelling and virtual screening for the identification of amyloid-beta diagnostic molecules. Marondedze EF; Govender KK; Govender PP J Mol Graph Model; 2020 Dec; 101():107711. PubMed ID: 32898834 [TBL] [Abstract][Full Text] [Related]
15. 3D QSAR, pharmacophore and molecular docking studies of known inhibitors and designing of novel inhibitors for M18 aspartyl aminopeptidase of Plasmodium falciparum. Kumari M; Chandra S; Tiwari N; Subbarao N BMC Struct Biol; 2016 Aug; 16():12. PubMed ID: 27534744 [TBL] [Abstract][Full Text] [Related]
16. Pharmacophore generation, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on benzamide analogues as FtsZ inhibitors. Tripathy S; Azam MA; Jupudi S; Sahu SK J Biomol Struct Dyn; 2018 Sep; 36(12):3218-3230. PubMed ID: 28938860 [TBL] [Abstract][Full Text] [Related]
17. Identification of novel CDK 9 inhibitors based on virtual screening, molecular dynamics simulation, and biological evaluation. Wu M; Han J; Liu Z; Zhang Y; Huang C; Li J; Li Z Life Sci; 2020 Oct; 258():118228. PubMed ID: 32781071 [TBL] [Abstract][Full Text] [Related]