114 related articles for article (PubMed ID: 38485685)
1. A Combination of Pharmacophore Generation, Ligand-based Virtual Screening, Atom-based 3D-QSAR, and Molecular Docking Studies on Febuxostat-based Amides Analogues as Anti-inflammatory Agents.
Chitre T; Bhatambrekar A; Hirode P; Thorat S; Hajare SG; Garud D; Jagdale S; Asgaonkar K
Curr Drug Discov Technol; 2024 Mar; ():. PubMed ID: 38485685
[TBL] [Abstract][Full Text] [Related]
2. Pharmacophore based virtual screening for identification of effective inhibitors to combat HPV 16 E6 driven cervical cancer.
Mohan A; Krishnamoorthy S; Sabanayagam R; Schwenk G; Feng E; Ji HF; Muthusami S
Eur J Pharmacol; 2023 Oct; 957():175961. PubMed ID: 37549730
[TBL] [Abstract][Full Text] [Related]
3. Pharmacophore Based 3D-QSAR, Virtual Screening and Docking Studies on Novel Series of HDAC Inhibitors with Thiophen Linker as Anticancer Agents.
Patel P; Singh A; Patel VK; Jain DK; Veerasamy R; Rajak H
Comb Chem High Throughput Screen; 2016; 19(9):735-751. PubMed ID: 27487787
[TBL] [Abstract][Full Text] [Related]
4. 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]
5.
Vaghefinezhad N; Farsani SF; Gharaghani S
Curr Drug Discov Technol; 2021; 18(1):139-157. PubMed ID: 31721705
[TBL] [Abstract][Full Text] [Related]
6. Pharmacophore and Docking Guided Virtual Screening Study for Discovery of Type I Inhibitors of VEGFR-2 Kinase.
Bhojwani HR; Joshi UJ
Curr Comput Aided Drug Des; 2017; 13(3):186-207. PubMed ID: 27981900
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. 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]
9. 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]
10. In silico exploration of c-KIT inhibitors by pharmaco-informatics methodology: pharmacophore modeling, 3D QSAR, docking studies, and virtual screening.
Chaudhari P; Bari S
Mol Divers; 2016 Feb; 20(1):41-53. PubMed ID: 26416560
[TBL] [Abstract][Full Text] [Related]
11. Discovery of newer pyrazole derivatives with potential anti-tubercular activity via 3D-QSAR based pharmacophore modelling, virtual screening, molecular docking and molecular dynamics simulation studies.
Modi P; Patel S; Chhabria M
Mol Divers; 2023 Aug; 27(4):1547-1566. PubMed ID: 35969333
[TBL] [Abstract][Full Text] [Related]
12. A combination of pharmacophore modeling, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on PDE4 enzyme inhibitors.
Tripuraneni NS; Azam MA
J Biomol Struct Dyn; 2016 Nov; 34(11):2481-92. PubMed ID: 26587754
[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. Pharmacophore- based virtual screening, 3D- QSAR, molecular docking approach for identification of potential dipeptidyl peptidase IV inhibitors.
Shah BM; Modi P; Trivedi P
J Biomol Struct Dyn; 2021 Apr; 39(6):2021-2043. PubMed ID: 32242496
[TBL] [Abstract][Full Text] [Related]
15. Ligand-based and e-pharmacophore modeling, 3D-QSAR and hierarchical virtual screening to identify dual inhibitors of spleen tyrosine kinase (Syk) and janus kinase 3 (JAK3).
Kaur M; Silakari O
J Biomol Struct Dyn; 2017 Nov; 35(14):3043-3060. PubMed ID: 27678281
[TBL] [Abstract][Full Text] [Related]
16. Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's disease.
Iqbal S; Anantha Krishnan D; Gunasekaran K
J Biomol Struct Dyn; 2018 Nov; 36(15):4029-4044. PubMed ID: 29182053
[TBL] [Abstract][Full Text] [Related]
17. Identification of selective MMP-9 inhibitors through multiple e-pharmacophore, ligand-based pharmacophore, molecular docking, and density functional theory approaches.
Jana S; Singh SK
J Biomol Struct Dyn; 2019 Mar; 37(4):944-965. PubMed ID: 29475408
[TBL] [Abstract][Full Text] [Related]
18. Targeting the NF-κB/IκBα complex via fragment-based E-Pharmacophore virtual screening and binary QSAR models.
Kanan T; Kanan D; Erol I; Yazdi S; Stein M; Durdagi S
J Mol Graph Model; 2019 Jan; 86():264-277. PubMed ID: 30415122
[TBL] [Abstract][Full Text] [Related]
19. Identification of potential inhibitors for HCV NS5b of genotype 4a by combining dynamic simulation, protein-ligand interaction fingerprint, 3D pharmacophore, docking and 3D QSAR.
El-Hassab MAE; El-Bastawissy EE; El-Moselhy TF
J Biomol Struct Dyn; 2020 Sep; 38(15):4521-4535. PubMed ID: 31647392
[TBL] [Abstract][Full Text] [Related]
20. 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 V; Jangid K; Kumar N; Kumar V; Kumar V
J Biomol Struct Dyn; 2024 Feb; ():1-15. PubMed ID: 38329085
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]