153 related articles for article (PubMed ID: 34060432)
1. Designing potent inhibitors against the multidrug resistance P-glycoprotein.
Mahmud S; Islam MJ; Parves MR; Khan MA; Tabussum L; Ahmed S; Ali MA; Fakayode SO; Halim MA
J Biomol Struct Dyn; 2022; 40(19):9403-9415. PubMed ID: 34060432
[TBL] [Abstract][Full Text] [Related]
2. Development of novel monoamine oxidase B (MAO-B) inhibitors by combined application of docking-based alignment, 3D-QSAR, ADMET prediction, molecular dynamics simulation, and MM_GBSA binding free energy.
El Aissouq A; Chedadi O; Bouachrine M; Ouammou A; Khalil F
J Biomol Struct Dyn; 2023 Jul; 41(10):4667-4680. PubMed ID: 35510607
[TBL] [Abstract][Full Text] [Related]
3. Identification of potent inhibitors against transmembrane serine protease 2 for developing therapeutics against SARS-CoV-2.
Mamun AA; Akter F; Khan M; Ahmed SS; Uddin MG; Tasfia NT; Efaz FM; Ali MA; Sultana MUC; Halim MA
J Biomol Struct Dyn; 2022; 40(23):13049-13061. PubMed ID: 34590967
[TBL] [Abstract][Full Text] [Related]
4. Designing of new tetrahydro-β-carboline-based ABCG2 inhibitors using 3D-QSAR, molecular docking, and DFT tools.
Ahmad S; Gupta D; Ahmed T; Islam A
J Biomol Struct Dyn; 2023; 41(23):14016-14027. PubMed ID: 36752362
[TBL] [Abstract][Full Text] [Related]
5. Design of novel dopamine D
Zhang C; Li Q; Meng L; Ren Y
J Biomol Struct Dyn; 2020 Feb; 38(3):860-885. PubMed ID: 30916624
[TBL] [Abstract][Full Text] [Related]
6. Potential drug candidates as P-glycoprotein inhibitors to reverse multidrug resistance in cancer: an
Ibrahim MAA; Abdeljawaad KAA; Jaragh-Alhadad LA; Oraby HF; Atia MAM; Alzahrani OR; Mekhemer GAH; Moustafa MF; Shawky AM; Sidhom PA; Abdelrahman AHM
J Biomol Struct Dyn; 2023; 41(23):13977-13992. PubMed ID: 36883864
[TBL] [Abstract][Full Text] [Related]
7. Virtual screening, molecular dynamics and structure-activity relationship studies to identify potent approved drugs for Covid-19 treatment.
Rahman MM; Saha T; Islam KJ; Suman RH; Biswas S; Rahat EU; Hossen MR; Islam R; Hossain MN; Mamun AA; Khan M; Ali MA; Halim MA
J Biomol Struct Dyn; 2021 Oct; 39(16):6231-6241. PubMed ID: 32692306
[TBL] [Abstract][Full Text] [Related]
8. Potential suppression of multidrug-resistance-associated protein 1 by coumarin derivatives: an insight from molecular docking and MD simulation studies.
Shahpouri P; Mehralitabar H; Kheirabadi M; Kazemi Noureini S
J Biomol Struct Dyn; 2023 Sep; ():1-17. PubMed ID: 37667877
[TBL] [Abstract][Full Text] [Related]
9.
Shirvani P; Fassihi A
J Biomol Struct Dyn; 2022 Aug; 40(13):5965-5982. PubMed ID: 33475043
[TBL] [Abstract][Full Text] [Related]
10. Quantitative structure-activity relationship and molecular docking studies on human proteasome inhibitors for anticancer activity targeting NF-κB signaling pathway.
Yadav D; Mishra BN; Khan F
J Biomol Struct Dyn; 2020 Aug; 38(12):3621-3632. PubMed ID: 31514715
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Quantitative structure activity relationship and molecular simulations for the exploration of natural potent VEGFR-2 inhibitors: an
Sharma N; Sharma M; Rahman QI; Akhtar S; Muddassir M
J Biomol Struct Dyn; 2021 May; 39(8):2806-2823. PubMed ID: 32363995
[TBL] [Abstract][Full Text] [Related]
13. Novel tumor necrosis factor-α (TNF-α) inhibitors from small molecule library screening for their therapeutic activity profiles against rheumatoid arthritis using target-driven approaches and binary QSAR models.
Zaka M; Abbasi BH; Durdagi S
J Biomol Struct Dyn; 2019 Jun; 37(9):2464-2476. PubMed ID: 30047845
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Molecular modeling studies of benzothiophene-containing derivatives as promising selective estrogen receptor downregulators: a combination of 3D-QSAR, molecular docking and molecular dynamics simulations.
Zhang C; Li Q; Ren Y; Liu F
J Biomol Struct Dyn; 2021 May; 39(8):2702-2723. PubMed ID: 32249694
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Molecular docking, QSAR and ADMET based mining of natural compounds against prime targets of HIV.
Vora J; Patel S; Sinha S; Sharma S; Srivastava A; Chhabria M; Shrivastava N
J Biomol Struct Dyn; 2019 Jan; 37(1):131-146. PubMed ID: 29268664
[TBL] [Abstract][Full Text] [Related]
18. Docking and QSAR Studies of 1,4-Dihydropyridine Derivatives as Anti- Cancer Agent.
Mollazadeh S; Shamsara J; Iman M; Hadizadeh F
Recent Pat Anticancer Drug Discov; 2017; 12(2):174-185. PubMed ID: 28137213
[TBL] [Abstract][Full Text] [Related]
19. Study on reversal of ABCB1 mediated multidrug resistance in Colon cancer by acetogenins: An
Jeevitha Priya M; Vidyalakshmi S; Rajeswari M
J Biomol Struct Dyn; 2022 Jun; 40(9):4273-4284. PubMed ID: 33280531
[TBL] [Abstract][Full Text] [Related]
20. 3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activity.
El-Mernissi R; Khaldan A; Bouamrane S; Rehman HM; Alaqarbeh M; Ajana MA; Lakhlifi T; Bouachrine M
J Biomol Struct Dyn; 2024 Apr; 42(7):3682-3699. PubMed ID: 37227776
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
