287 related articles for article (PubMed ID: 34962586)
1. In silico molecular docking and dynamic simulation of eugenol compounds against breast cancer.
Rasul HO; Aziz BK; Ghafour DD; Kivrak A
J Mol Model; 2021 Dec; 28(1):17. PubMed ID: 34962586
[TBL] [Abstract][Full Text] [Related]
2. Discovery of potential mTOR inhibitors from Cichorium intybus to find new candidate drugs targeting the pathological protein related to the breast cancer: an integrated computational approach.
Rasul HO; Aziz BK; Ghafour DD; Kivrak A
Mol Divers; 2023 Jun; 27(3):1141-1162. PubMed ID: 35737256
[TBL] [Abstract][Full Text] [Related]
3. Screening the possible anti-cancer constituents of Hibiscus rosa-sinensis flower to address mammalian target of rapamycin: an in silico molecular docking, HYDE scoring, dynamic studies, and pharmacokinetic prediction.
Rasul HO; Aziz BK; Ghafour DD; Kivrak A
Mol Divers; 2023 Oct; 27(5):2273-2296. PubMed ID: 36318405
[TBL] [Abstract][Full Text] [Related]
4. Structure Based Multitargeted Molecular Docking Analysis of Selected Furanocoumarins against Breast Cancer.
Acharya R; Chacko S; Bose P; Lapenna A; Pattanayak SP
Sci Rep; 2019 Oct; 9(1):15743. PubMed ID: 31673107
[TBL] [Abstract][Full Text] [Related]
5. Chemical Characterization,
Ansari JA; Ahmad MK; Fatima N; Azad I; Mahdi AA; Satyanarayan GNV; Ahmad N
Anticancer Agents Med Chem; 2022; 22(20):3416-3437. PubMed ID: 35125087
[TBL] [Abstract][Full Text] [Related]
6. Structure-based virtual screening, pharmacokinetic prediction, molecular dynamics studies for the identification of novel EGFR inhibitors in breast cancer.
Anbuselvam M; Easwaran M; Meyyazhagan A; Anbuselvam J; Bhotla HK; Sivasubramanian M; Annadurai Y; Kaul T; Pappusamy M; Balasubramanian B
J Biomol Struct Dyn; 2021 Aug; 39(12):4462-4471. PubMed ID: 32567493
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. Exploring the novel heterocyclic derivatives as lead molecules for design and development of potent anticancer agents.
Azad I; Nasibullah M; Khan T; Hassan F; Akhter Y
J Mol Graph Model; 2018 May; 81():211-228. PubMed ID: 29609141
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study.
Kumer A; Chakma U; Rana MM; Chandro A; Akash S; Elseehy MM; Albogami S; El-Shehawi AM
Molecules; 2022 Jun; 27(12):. PubMed ID: 35744817
[TBL] [Abstract][Full Text] [Related]
11. Discovery of the allosteric inhibitor from actinomyces metabolites to target EGFR
Saini R; Kumari S; Bhatnagar A; Singh A; Mishra A
Sci Rep; 2023 Jun; 13(1):8885. PubMed ID: 37264083
[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. Ligand and structure based virtual screening of chemical databases to explore potent small molecule inhibitors against breast invasive carcinoma using recent computational technologies.
Agarwal S; Dixit A; Kashaw SK
J Mol Graph Model; 2020 Jul; 98():107591. PubMed ID: 32234678
[TBL] [Abstract][Full Text] [Related]
14. Synthesis, Molecular Docking, Molecular Dynamics Studies, and Biological Evaluation of 4H-Chromone-1,2,3,4-tetrahydropyrimidine-5-carboxylate Derivatives as Potential Antileukemic Agents.
Dolatkhah Z; Javanshir S; Sadr AS; Hosseini J; Sardari S
J Chem Inf Model; 2017 Jun; 57(6):1246-1257. PubMed ID: 28524659
[TBL] [Abstract][Full Text] [Related]
15. Pharmacophore modelling, docking and molecular dynamic simulation studies in the discovery of potential human renin inhibitors.
Halimi M; Hajipasha A
J Mol Graph Model; 2022 Nov; 116():108272. PubMed ID: 35932508
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Structure based virtual screening, 3D-QSAR, molecular dynamics and ADMET studies for selection of natural inhibitors against structural and non-structural targets of Chikungunya.
Vora J; Patel S; Sinha S; Sharma S; Srivastava A; Chhabria M; Shrivastava N
J Biomol Struct Dyn; 2019 Aug; 37(12):3150-3161. PubMed ID: 30114965
[TBL] [Abstract][Full Text] [Related]
18. Discovery of Potential Chemical Probe as Inhibitors of CXCL12 Using Ligand-Based Virtual Screening and Molecular Dynamic Simulation.
Haider S; Barakat A; Ul-Haq Z
Molecules; 2020 Oct; 25(20):. PubMed ID: 33092204
[TBL] [Abstract][Full Text] [Related]
19. Structure-guided screening of chemical database to identify NS3-NS2B inhibitors for effective therapeutic application in dengue infection.
Bhowmick S; Alissa SA; Wabaidur SM; Chikhale RV; Islam MA
J Mol Recognit; 2020 Jul; 33(7):e2838. PubMed ID: 32060998
[TBL] [Abstract][Full Text] [Related]
20. Molecular docking and dynamics studies of 4-anilino quinazolines for epidermal growth factor receptor tyrosine kinase to find potent inhibitor.
Muthuvel SK; Elumalai E; K G; K H
J Recept Signal Transduct Res; 2018; 38(5-6):475-483. PubMed ID: 31038021
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]