123 related articles for article (PubMed ID: 35983608)
1. Identification of NEK7 inhibitors: structure based virtual screening, molecular docking, density functional theory calculations and molecular dynamics simulations.
Aziz M; Ejaz SA; Rehman HM; Alsubaie AS; Mahmoud KH; Siddique F; Al-Buriahi MS; Alrowaili ZA
J Biomol Struct Dyn; 2023; 41(14):6894-6908. PubMed ID: 35983608
[TBL] [Abstract][Full Text] [Related]
2. Deep Learning and Structure-Based Virtual Screening for Drug Discovery against NEK7: A Novel Target for the Treatment of Cancer.
Aziz M; Ejaz SA; Zargar S; Akhtar N; Aborode AT; A Wani T; Batiha GE; Siddique F; Alqarni M; Akintola AA
Molecules; 2022 Jun; 27(13):. PubMed ID: 35807344
[TBL] [Abstract][Full Text] [Related]
3. Revisiting the inhibitory potential of protein kinase inhibitors against NEK7 protein via comprehensive computational investigations.
Ejaz SA; Aziz M; Zafar Z; Akhtar N; Ogaly HA
Sci Rep; 2023 Mar; 13(1):4304. PubMed ID: 36922575
[TBL] [Abstract][Full Text] [Related]
4. In silico study to identify novel NEK7 inhibitors from natural sources by a combination strategy.
Zhang H; Lu C; Yao Q; Jiao Q
Mol Divers; 2024 Apr; ():. PubMed ID: 38598164
[TBL] [Abstract][Full Text] [Related]
5. Identification of potent inhibitors of NEK7 protein using a comprehensive computational approach.
Aziz M; Ejaz SA; Tamam N; Siddique F; Riaz N; Qais FA; Chtita S; Iqbal J
Sci Rep; 2022 Apr; 12(1):6404. PubMed ID: 35436996
[TBL] [Abstract][Full Text] [Related]
6. Computational Investigation of 1, 3, 4 Oxadiazole Derivatives as Lead Inhibitors of VEGFR 2 in Comparison with EGFR: Density Functional Theory, Molecular Docking and Molecular Dynamics Simulation Studies.
Bilal MS; Ejaz SA; Zargar S; Akhtar N; Wani TA; Riaz N; Aborode AT; Siddique F; Altwaijry N; Alkahtani HM; Umar HI
Biomolecules; 2022 Nov; 12(11):. PubMed ID: 36358960
[TBL] [Abstract][Full Text] [Related]
7. Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysis.
Razzaghi-Asl N; Ebadi A; Shahabipour S; Gholamin D
J Biomol Struct Dyn; 2021 Oct; 39(17):6633-6648. PubMed ID: 32705953
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Comprehensive molecular docking and dynamic simulations for drug repurposing of clinical drugs against multiple cancer kinase targets.
Shaikh N; Linthoi RK; Swamy KV; Karthikeyan M; Vyas R
J Biomol Struct Dyn; 2023; 41(16):7735-7743. PubMed ID: 36134605
[TBL] [Abstract][Full Text] [Related]
10. In-silico analysis of potential anticancer drug for NEK7 and PPP1CA proteins overexpressed in pancreatic ductal adenocarcinoma.
Adrees S; Imtiaz A; Yaseen A; Irfan Fareed M; Anwar W; Ashraf A; Shabbir RMK; Andlib S; Hussain M; Tariq A; Mateen RM; Saqib MAN; Parveen R
J Biomol Struct Dyn; 2024 Mar; ():1-17. PubMed ID: 38469816
[TBL] [Abstract][Full Text] [Related]
11. Pharmacophore-Based Virtual Screening and In-Silico Explorations of Biomolecules (Curcumin Derivatives) of
Ejaz SA; Aziz M; Fawzy Ramadan M; Fayyaz A; Bilal MS
Molecules; 2023 May; 28(10):. PubMed ID: 37241785
[TBL] [Abstract][Full Text] [Related]
12. Targeting protein tyrosine phosphatase to unravel possible inhibitors for Streptococcus pneumoniae using molecular docking, molecular dynamics simulations coupled with free energy calculations.
Zaman Z; Khan S; Nouroz F; Farooq U; Urooj A
Life Sci; 2021 Jan; 264():118621. PubMed ID: 33164832
[TBL] [Abstract][Full Text] [Related]
13. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations.
Liu YY; Feng XY; Jia WQ; Jing Z; Xu WR; Cheng XC
Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817
[TBL] [Abstract][Full Text] [Related]
14. Synthesis, biological evaluation and
Qadri T; Aziz M; Channar PA; Ejaz SA; Hussain M; Attaullah HM; Ujan R; Hussain Z; Zehra T; Saeed A; Shah MR; Ogaly HA; Al-Zahrani FAM
RSC Adv; 2023 Nov; 13(48):33826-33843. PubMed ID: 38020022
[TBL] [Abstract][Full Text] [Related]
15. Integrating Ligand and Target-Driven Based Virtual Screening Approaches With
Tutumlu G; Dogan B; Avsar T; Orhan MD; Calis S; Durdagi S
Front Chem; 2020; 8():167. PubMed ID: 32328476
[TBL] [Abstract][Full Text] [Related]
16. In silico identification of potential Hsp90 inhibitors via ensemble docking, DFT and molecular dynamics simulations.
Rezvani S; Ebadi A; Razzaghi-Asl N
J Biomol Struct Dyn; 2022; 40(21):10665-10676. PubMed ID: 34286666
[TBL] [Abstract][Full Text] [Related]
17. Drug Repurposing of FDA Compounds against α-Glucosidase for the Treatment of Type 2 Diabetes: Insights from Molecular Docking and Molecular Dynamics Simulations.
Rashid RSM; Temurlu S; Abourajab A; Karsili P; Dinleyici M; Al-Khateeb B; Icil H
Pharmaceuticals (Basel); 2023 Apr; 16(4):. PubMed ID: 37111312
[TBL] [Abstract][Full Text] [Related]
18. In Silico Drug Repurposing Approach: Investigation of
Ngidi NTP; Machaba KE; Mhlongo NN
Molecules; 2022 Jan; 27(3):. PubMed ID: 35163931
[No Abstract] [Full Text] [Related]
19. 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]
20. Computational repurposing approach for targeting the critical spike mutations in B.1.617.2 (delta), AY.1 (delta plus) and C.37 (lambda) SARS-CoV-2 variants using exhaustive structure-based virtual screening, molecular dynamic simulations and MM-PBSA methods.
Ebrahimi M; Karami L; Alijanianzadeh M
Comput Biol Med; 2022 Aug; 147():105709. PubMed ID: 35728285
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
