267 related articles for article (PubMed ID: 26942689)
1. Lipoxygenase directed anti-inflammatory and anti-cancerous secondary metabolites: ADMET-based screening, molecular docking and dynamics simulation.
Singh S; Awasthi M; Pandey VP; Dwivedi UN
J Biomol Struct Dyn; 2017 Feb; 35(3):657-668. PubMed ID: 26942689
[TBL] [Abstract][Full Text] [Related]
2. DNA topoisomerase-directed anticancerous alkaloids: ADMET-based screening, molecular docking, and dynamics simulation.
Singh S; Das T; Awasthi M; Pandey VP; Pandey B; Dwivedi UN
Biotechnol Appl Biochem; 2016; 63(1):125-37. PubMed ID: 25594242
[TBL] [Abstract][Full Text] [Related]
3. Plant derived anti-cancerous secondary metabolites as multipronged inhibitor of COX, Topo, and aromatase: molecular modeling and dynamics simulation analyses.
Singh S; Awasthi M; Pandey VP; Dwivedi UN
J Biomol Struct Dyn; 2017 Nov; 35(14):3082-3097. PubMed ID: 27667581
[TBL] [Abstract][Full Text] [Related]
4. Investigation of non-hydroxamate scaffolds against HDAC6 inhibition: A pharmacophore modeling, molecular docking, and molecular dynamics simulation approach.
Zeb A; Park C; Son M; Rampogu S; Alam SI; Park SJ; Lee KW
J Bioinform Comput Biol; 2018 Jun; 16(3):1840015. PubMed ID: 29945500
[TBL] [Abstract][Full Text] [Related]
5. Comparative binding effects of aspirin and anti-inflammatory Cu complex in the active site of LOX-1.
Vrontaki E; Leonis G; Papadopoulos MG; Simcic M; Golic Grdadolnik S; Afantitis A; Melagraki G; Hadjikakou SK; Mavromoustakos T
J Chem Inf Model; 2012 Dec; 52(12):3293-301. PubMed ID: 23126503
[TBL] [Abstract][Full Text] [Related]
6. Molecular docking and dynamics simulation study of flavonoids as BET bromodomain inhibitors.
Raj U; Kumar H; Varadwaj PK
J Biomol Struct Dyn; 2017 Aug; 35(11):2351-2362. PubMed ID: 27494802
[TBL] [Abstract][Full Text] [Related]
7. Identification of anti-filarial leads against aspartate semialdehyde dehydrogenase of Wolbachia endosymbiont of Brugia malayi: combined molecular docking and molecular dynamics approaches.
Amala M; Rajamanikandan S; Prabhu D; Surekha K; Jeyakanthan J
J Biomol Struct Dyn; 2019 Feb; 37(2):394-410. PubMed ID: 29334340
[TBL] [Abstract][Full Text] [Related]
8. Exploration of binding site pattern in arachidonic acid metabolizing enzymes, Cyclooxygenases and Lipoxygenases.
Reddy KK; Vidya Rajan VK; Gupta A; Aparoy P; Reddanna P
BMC Res Notes; 2015 Apr; 8():152. PubMed ID: 25886468
[TBL] [Abstract][Full Text] [Related]
9. Synthesis and docking studies of 2,4,6-trihydroxy-3-geranylacetophenone analogs as potential lipoxygenase inhibitor.
Ng CH; Rullah K; Aluwi MF; Abas F; Lam KW; Ismail IS; Narayanaswamy R; Jamaludin F; Shaari K
Molecules; 2014 Aug; 19(8):11645-59. PubMed ID: 25100256
[TBL] [Abstract][Full Text] [Related]
10. 'Mechanistic insights into 5-lipoxygenase inhibition by active principles derived from essential oils of Curcuma species: Molecular docking, ADMET analysis and molecular dynamic simulation study.
Gadnayak A; Dehury B; Nayak A; Jena S; Sahoo A; Panda PC; Ray A; Nayak S
PLoS One; 2022; 17(7):e0271956. PubMed ID: 35867724
[TBL] [Abstract][Full Text] [Related]
11. Bioprospection of anti-inflammatory phytochemicals suggests rutaecarpine and quinine as promising 15-lipoxygenase inhibitors.
Gurung AB; Pamay P; Tripathy D; Biswas K; Chatterjee A; Joshi SR; Bhattacharjee A
J Cell Biochem; 2019 Aug; 120(8):13598-13613. PubMed ID: 30937959
[TBL] [Abstract][Full Text] [Related]
12. Investigating a Library of Flavonoids as Potential Inhibitors of a Cancer Therapeutic Target MEK2 Using in Silico Methods.
AlZahrani WM; AlGhamdi SA; Sohrab SS; Rehan M
Int J Mol Sci; 2023 Feb; 24(5):. PubMed ID: 36901876
[TBL] [Abstract][Full Text] [Related]
13. Development of 3,5-dinitrobenzoate-based 5-lipoxygenase inhibitors.
Shang E; Liu Y; Wu Y; Zhu W; He C; Lai L
Bioorg Med Chem; 2014 Apr; 22(8):2396-402. PubMed ID: 24685113
[TBL] [Abstract][Full Text] [Related]
14. Molecular docking and 3D-QSAR-based virtual screening of flavonoids as potential aromatase inhibitors against estrogen-dependent breast cancer.
Awasthi M; Singh S; Pandey VP; Dwivedi UN
J Biomol Struct Dyn; 2015; 33(4):804-19. PubMed ID: 24702656
[TBL] [Abstract][Full Text] [Related]
15. Aloe emodin shows high affinity to active site and low affinity to two other sites to result consummately reduced inhibition of lipoxygenase.
Sharanya CS; Arun KG; Sabu A; Haridas M
Prostaglandins Other Lipid Mediat; 2020 Oct; 150():106453. PubMed ID: 32380176
[TBL] [Abstract][Full Text] [Related]
16. Identification of a high affinity selective inhibitor of Polo-like kinase 1 for cancer chemotherapy by computational approach.
Kumar M; Pydi SP; Sharma S; Singh TP; Kaur P
J Mol Graph Model; 2014 Jun; 51():104-12. PubMed ID: 24879322
[TBL] [Abstract][Full Text] [Related]
17. Computational screening of fatty acid synthase inhibitors against thioesterase domain.
Panman W; Nutho B; Chamni S; Dokmaisrijan S; Kungwan N; Rungrotmongkol T
J Biomol Struct Dyn; 2018 Nov; 36(15):4114-4125. PubMed ID: 29161996
[TBL] [Abstract][Full Text] [Related]
18. Stability and binding effects of silver(I) complexes at lipoxygenase-1.
Vrontaki E; Leonis G; Avramopoulos A; Papadopoulos MG; Simčič M; Grdadolnik SG; Afantitis A; Melagraki G; Hadjikakou SK; Mavromoustakos T
J Enzyme Inhib Med Chem; 2015; 30(4):539-49. PubMed ID: 25373502
[TBL] [Abstract][Full Text] [Related]
19. Virtual screening, pharmacokinetics, molecular dynamics and binding free energy analysis for small natural molecules against cyclin-dependent kinase 5 for Alzheimer's disease.
Shukla R; Singh TR
J Biomol Struct Dyn; 2020 Jan; 38(1):248-262. PubMed ID: 30688165
[TBL] [Abstract][Full Text] [Related]
20. Could the FDA-approved anti-HIV PR inhibitors be promising anticancer agents? An answer from enhanced docking approach and molecular dynamics analyses.
Arodola OA; Soliman ME
Drug Des Devel Ther; 2015; 9():6055-65. PubMed ID: 26622167
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
