156 related articles for article (PubMed ID: 37551116)
1. In silico design based on quantum chemical, molecular docking studies and ADMET predictions of ciprofloxacin derivatives as novel potential antibacterial and antimycrobacterium agents.
Benselama W; Benchouk W
J Biomol Struct Dyn; 2023 Aug; ():1-17. PubMed ID: 37551116
[TBL] [Abstract][Full Text] [Related]
2. A novel imidazole-based azo molecule: synthesis, characterization, quantum chemical calculations, molecular docking, molecular dynamics simulations and ADMET properties.
Karabacak Atay Ç; Dilek Ö; Tilki T; Dede B
J Mol Model; 2023 Jul; 29(8):226. PubMed ID: 37405575
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. 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]
5. Design, synthesis, extra-precision docking, and molecular dynamics simulation studies of pyrrolidin-2-one derivatives as potential acetylcholinesterase inhibitors.
Gupta M; Kumar A; Prasun C; Nair MS; Kini SG; Yadav D; Nain S
J Biomol Struct Dyn; 2023; 41(13):6282-6294. PubMed ID: 35921217
[TBL] [Abstract][Full Text] [Related]
6. Synthesis, antimicrobial activity, molecular docking and ADMET study of a caprolactam-glycine cluster.
Celik S; Albayrak AT; Akyuz S; Ozel AE; Sigirci BD
J Biomol Struct Dyn; 2021 Apr; 39(7):2376-2386. PubMed ID: 32216608
[TBL] [Abstract][Full Text] [Related]
7. Virtual Screening of Novel Glucosamine-6-Phosphate Synthase Inhibitors.
Lather A; Sharma S; Khatkar A
Comb Chem High Throughput Screen; 2018; 21(3):182-193. PubMed ID: 29600755
[TBL] [Abstract][Full Text] [Related]
8. Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors.
Hu Y; Zhou L; Zhu X; Dai D; Bao Y; Qiu Y
J Biomol Struct Dyn; 2019 Jul; 37(10):2703-2715. PubMed ID: 30052133
[TBL] [Abstract][Full Text] [Related]
9. Computer-aided anti-cancer drug discovery of EGFR protein based on virtual screening of drug bank, ADMET, docking, DFT and molecular dynamic simulation studies.
Roney M; Dubey A; Hassan Nasir M; Tufail A; Tajuddin SN; Mohd Aluwi MFF; Huq AM
J Biomol Struct Dyn; 2023 Sep; ():1-16. PubMed ID: 37676262
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. Methyl β-D-galactopyranoside esters as potential inhibitors for SARS-CoV-2 protease enzyme: synthesis, antimicrobial, PASS, molecular docking, molecular dynamics simulations and quantum computations.
Amin MR; Yasmin F; Dey S; Mahmud S; Saleh MA; Emran TB; Hasan I; Rajia S; Ogawa Y; Fujii Y; Yamada M; Ozeki Y; Kawsar SMA
Glycoconj J; 2022 Apr; 39(2):261-290. PubMed ID: 35037163
[TBL] [Abstract][Full Text] [Related]
12. In silico Molecular Docking, DFT Analysis and ADMET Studies of Carbazole Alkaloid and Coumarins from Roots of
Eswaramoorthy R; Hailekiros H; Kedir F; Endale M
Adv Appl Bioinform Chem; 2021; 14():13-24. PubMed ID: 33584098
[TBL] [Abstract][Full Text] [Related]
13. Synthesis, antimicrobial, SAR, PASS, molecular docking, molecular dynamics and pharmacokinetics studies of 5'-
Munia NS; Hosen MA; Azzam KMA; Al-Ghorbani M; Baashen M; Hossain MK; Ali F; Mahmud S; Shimu MSS; Almalki FA; Hadda TB; Laaroussi H; Naimi S; Kawsar SMA
Nucleosides Nucleotides Nucleic Acids; 2022; 41(10):1036-1083. PubMed ID: 35797068
[TBL] [Abstract][Full Text] [Related]
14.
Akabli T; Toufik H; Lamchouri F
J Biomol Struct Dyn; 2022 Jun; 40(9):3965-3978. PubMed ID: 33252029
[TBL] [Abstract][Full Text] [Related]
15. Design, synthesis, molecular docking study, and antibacterial evaluation of some new fluoroquinolone analogues bearing a quinazolinone moiety.
Norouzbahari M; Salarinejad S; Güran M; Şanlıtürk G; Emamgholipour Z; Bijanzadeh HR; Toolabi M; Foroumadi A
Daru; 2020 Dec; 28(2):661-672. PubMed ID: 33030668
[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. Synthesis, DFT Analysis, and Evaluation of Antibacterial and Antioxidant Activities of Sulfathiazole Derivatives Combined with
Samuel Y; Garg A; Mulugeta E
Biochem Res Int; 2021; 2021():7534561. PubMed ID: 34950517
[TBL] [Abstract][Full Text] [Related]
18.
Sehrawat R; Rathee P; Rathee P; Khatkar S; Akkol EK; Khatkar A; Sobarzo-Sánchez E
Front Pharmacol; 2023; 14():1266833. PubMed ID: 38152692
[No Abstract] [Full Text] [Related]
19. A combined
Guendouzi A; Belkhiri L; Guendouzi A; Derouiche TMT; Djekoun A
J Biomol Struct Dyn; 2024; 42(1):119-133. PubMed ID: 36995063
[TBL] [Abstract][Full Text] [Related]
20. Design, Synthesis, In Vitro Anti-cancer Activity, ADMET Profile and Molecular Docking of Novel Triazolo[3,4-a]phthalazine Derivatives Targeting VEGFR-2 Enzyme.
El-Helby AA; Sakr H; Ayyad RRA; El-Adl K; Ali MM; Khedr F
Anticancer Agents Med Chem; 2018; 18(8):1184-1196. PubMed ID: 29651967
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
