481 related articles for article (PubMed ID: 30295165)
1. Developing Hispolon-based novel anticancer therapeutics against human (NF-κβ) using
Paul M; Kumar Panda M; Thatoi H
J Biomol Struct Dyn; 2019 Sep; 37(15):3947-3967. PubMed ID: 30295165
[TBL] [Abstract][Full Text] [Related]
2. Ligand- and structure-based in silico studies to identify kinesin spindle protein (KSP) inhibitors as potential anticancer agents.
Balakumar C; Ramesh M; Tham CL; Khathi SP; Kozielski F; Srinivasulu C; Hampannavar GA; Sayyad N; Soliman ME; Karpoormath R
J Biomol Struct Dyn; 2018 Nov; 36(14):3687-3704. PubMed ID: 29064326
[TBL] [Abstract][Full Text] [Related]
3. Structural insights into pharmacophore-assisted in silico identification of protein-protein interaction inhibitors for inhibition of human toll-like receptor 4 - myeloid differentiation factor-2 (hTLR4-MD-2) complex.
Mishra V; Pathak C
J Biomol Struct Dyn; 2019 May; 37(8):1968-1991. PubMed ID: 29842849
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. 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]
6. Multiple e-pharmacophore modelling pooled with high-throughput virtual screening, docking and molecular dynamics simulations to discover potential inhibitors of Plasmodium falciparum lactate dehydrogenase (PfLDH).
Saxena S; Durgam L; Guruprasad L
J Biomol Struct Dyn; 2019 Apr; 37(7):1783-1799. PubMed ID: 29718775
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. 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]
9. The molecular docking and molecular dynamics study of flavonol synthase and flavonoid 3'-monooxygenase enzymes involved for the enrichment of kaempferol.
Kumari G; Nigam VK; Pandey DM
J Biomol Struct Dyn; 2023 Apr; 41(6):2478-2491. PubMed ID: 35105279
[TBL] [Abstract][Full Text] [Related]
10. Evaluation of binding and antagonism/downregulation of brilanestrant molecule in estrogen receptor-α via quantum mechanics/molecular mechanics, molecular dynamics and binding free energy calculations.
Chinnasamy K; Saravanan M; Poomani K
J Biomol Struct Dyn; 2020 Jan; 38(1):219-235. PubMed ID: 31038398
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. In-Silico molecular docking and simulation studies on novel chalcone and flavone hybrid derivatives with 1, 2, 3-triazole linkage as vital inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase.
Thillainayagam M; Malathi K; Ramaiah S
J Biomol Struct Dyn; 2018 Nov; 36(15):3993-4009. PubMed ID: 29132266
[TBL] [Abstract][Full Text] [Related]
13. Molecular dynamics study of HDAC8-largazole analogues co-crystals for designing potential anticancer compounds.
Dewaker V; Srivastava PN; Verma S; Prabhakar YS
J Biomol Struct Dyn; 2020 Mar; 38(4):1197-1213. PubMed ID: 30909817
[TBL] [Abstract][Full Text] [Related]
14. Molecular docking and dynamics simulation study of quinones and pyrones from
H N K; Murali Sharma P; Garampalli RH
J Biomol Struct Dyn; 2023; 41(24):14744-14756. PubMed ID: 36935093
[TBL] [Abstract][Full Text] [Related]
15. Disruption of redox catalytic functions of peroxiredoxin-thioredoxin complex in Mycobacterium tuberculosis H37Rv using small interface binding molecules.
Gurung AB; Das AK; Bhattacharjee A
Comput Biol Chem; 2017 Apr; 67():69-83. PubMed ID: 28063347
[TBL] [Abstract][Full Text] [Related]
16. 3D-QSAR and docking studies on ursolic acid derivatives for anticancer activity based on bladder cell line T24 targeting NF-kB pathway inhibition.
Yadav D; Nath Mishra B; Khan F
J Biomol Struct Dyn; 2019 Sep; 37(14):3822-3837. PubMed ID: 30261824
[TBL] [Abstract][Full Text] [Related]
17. Molecular dynamics and absolute binding free energy studies of piperine derivatives as potential inhibitors of SARS-CoV-2 main protease.
Amperayani KR; Varadhi G; Oruganti B; Parimi UD
J Biomol Struct Dyn; 2023; 41(23):13696-13706. PubMed ID: 36995111
[TBL] [Abstract][Full Text] [Related]
18. Discovery of novel VEGFR2-TK inhibitors by phthalimide pharmacophore based virtual screening, molecular docking, MD simulation and DFT.
Matore BW; Roy PP; Singh J
J Biomol Struct Dyn; 2023; 41(22):13056-13077. PubMed ID: 36775656
[TBL] [Abstract][Full Text] [Related]
19. A novel identification approach for discovery of 5-HydroxyTriptamine 2A antagonists: combination of 2D/3D similarity screening, molecular docking and molecular dynamics.
Kumar R; Jade D; Gupta D
J Biomol Struct Dyn; 2019 Mar; 37(4):931-943. PubMed ID: 29468945
[TBL] [Abstract][Full Text] [Related]
20. Molecular dynamics simulation and binding free energy studies of novel leads belonging to the benzofuran class inhibitors of Mycobacterium tuberculosis Polyketide Synthase 13.
Cruz JN; Costa JFS; Khayat AS; Kuca K; Barros CAL; Neto AMJC
J Biomol Struct Dyn; 2019 Apr; 37(6):1616-1627. PubMed ID: 29633908
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
