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.
118 related articles for article (PubMed ID: 37870113)
1. A computational investigation of thymidylate synthase inhibitors through a combined approach of 3D-QSAR and pharmacophore modelling. Benny S; Rajappan Krishnendu P; Kumar S; Bhaskar V; Manisha DS; Abdelgawad MA; Ghoneim MM; Naguib IA; Pappachen LK; Mary Zachariah S; Mathew B; Tp A J Biomol Struct Dyn; 2024 Oct; 42(16):8473-8492. PubMed ID: 37870113 [TBL] [Abstract][Full Text] [Related]
2. Exploring QSAR, pharmacophore mapping and docking studies and virtual library generation for cycloguanil derivatives as PfDHFR-TS inhibitors. Ojha PK; Roy K Med Chem; 2011 May; 7(3):173-99. PubMed ID: 21486210 [TBL] [Abstract][Full Text] [Related]
3. High-throughput virtual screening of phenylpyrimidine derivatives as selective JAK3 antagonists using computational methods. Faris A; Ibrahim IM; Hadni H; Elhallaoui M J Biomol Struct Dyn; 2024 Sep; 42(14):7574-7599. PubMed ID: 37539779 [TBL] [Abstract][Full Text] [Related]
4. 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]
5. Virtual screening, structure based pharmacophore mapping, and molecular simulation studies of pyrido[2,3-d]pyrimidines as selective thymidylate synthase inhibitors. Kumar A; Novak J; Singh AK; Singh H; Thareja S; Pathak P; Grishina M; Verma A; Kumar P J Biomol Struct Dyn; 2023; 41(23):14197-14211. PubMed ID: 37154748 [TBL] [Abstract][Full Text] [Related]
6. Combined pharmacophore modeling, docking, and 3D-QSAR studies of PLK1 inhibitors. Lu S; Liu HC; Chen YD; Yuan HL; Sun SL; Gao YP; Yang P; Zhang L; Lu T Int J Mol Sci; 2011; 12(12):8713-39. PubMed ID: 22272100 [TBL] [Abstract][Full Text] [Related]
7. Mechanistic insights into mode of action of novel natural cathepsin L inhibitors. Tyagi C; Grover S; Dhanjal J; Goyal S; Goyal M; Grover A BMC Genomics; 2013; 14 Suppl 8(Suppl 8):S10. PubMed ID: 24564425 [TBL] [Abstract][Full Text] [Related]
8. Discovery of potential Aurora-A kinase inhibitors by 3D QSAR pharmacophore modeling, virtual screening, docking, and MD simulation studies. Swamy P M G; Abbas N; Dhiwar PS; Singh E; Ghara A; Das A J Biomol Struct Dyn; 2023 Jan; 41(1):125-146. PubMed ID: 34809538 [TBL] [Abstract][Full Text] [Related]
9. 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]
10. Discovery of Novel DPP-IV Inhibitors as Potential Candidates for the Treatment of Type 2 Musoev A; Numonov S; You Z; Gao H Molecules; 2019 Aug; 24(16):. PubMed ID: 31394858 [TBL] [Abstract][Full Text] [Related]
11. Insight parameter drug design for human β-tryptase inhibition integrated molecular docking, QSAR, molecular dynamics simulation, and pharmacophore modelling studies of α-keto-[1,2,4]-oxadiazoles. Yu CX; Tan JW; Rullah K; Imran S; Tham CL J Biomol Struct Dyn; 2023; 41(22):12978-12996. PubMed ID: 36709457 [TBL] [Abstract][Full Text] [Related]
12. Pharmacophore generation, atom-based 3D-QSAR and molecular dynamics simulation analyses of pyridine-3-carboxamide-6-yl-urea analogues as potential gyrase B inhibitors. Azam MA; Thathan J SAR QSAR Environ Res; 2017 Apr; 28(4):275-296. PubMed ID: 28399673 [TBL] [Abstract][Full Text] [Related]
13. 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]
14. Building a common feature hypothesis for thymidylate synthase inhibition. Kim SG; Yoon CJ; Kim SH; Cho YJ; Kang DI Bioorg Med Chem; 2000 Jan; 8(1):11-7. PubMed ID: 10968259 [TBL] [Abstract][Full Text] [Related]
15. 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]
16. Identification of potential tumour-associated carbonic anhydrase isozyme IX inhibitors: atom-based 3D-QSAR modelling, pharmacophore-based virtual screening and molecular docking studies. Kumar A; Rathi E; Kini SG J Biomol Struct Dyn; 2020 Apr; 38(7):2156-2170. PubMed ID: 31179854 [TBL] [Abstract][Full Text] [Related]
17. Structure-guided Design and Optimization of small Molecules as Pancreatic Lipase Inhibitors using Pharmacophore, 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulation Studies. Modanwal S; Mulpuru V; Mishra N Curr Comput Aided Drug Des; 2023; 19(4):258-277. PubMed ID: 36597611 [TBL] [Abstract][Full Text] [Related]
18. 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]
19. 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]
20. Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function. Schormann N; Senkovich O; Walker K; Wright DL; Anderson AC; Rosowsky A; Ananthan S; Shinkre B; Velu S; Chattopadhyay D Proteins; 2008 Dec; 73(4):889-901. PubMed ID: 18536013 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]