129 related articles for article (PubMed ID: 35132941)
1. Synthesis, molecular docking, molecular dynamics and evaluation of Drug-Likeness properties of the fused
Çapan İ; Shehu A; Sert Y; Çelik İ; Erol M; Koca İ; Servi S
J Biomol Struct Dyn; 2023 Apr; 41(6):2492-2503. PubMed ID: 35132941
[TBL] [Abstract][Full Text] [Related]
2. Pyrazoline analogs as potential anticancer agents and their apoptosis, molecular docking, MD simulation, DNA binding and antioxidant studies.
Rana M; Arif R; Khan FI; Maurya V; Singh R; Faizan MI; Yasmeen S; Dar SH; Alam R; Sahu A; Ahmad T; Rahisuddin
Bioorg Chem; 2021 Mar; 108():104665. PubMed ID: 33571809
[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. Exploration of interaction mechanism of tyrosol as a potent anti-inflammatory agent.
Yadav TC; Kumar N; Raj U; Goel N; Vardawaj PK; Prasad R; Pruthi V
J Biomol Struct Dyn; 2020 Feb; 38(2):382-397. PubMed ID: 30887884
[TBL] [Abstract][Full Text] [Related]
5. Synthesis and acetylcholinesterase enzyme inhibitory effects of some novel 4,5-Dihydro-1
Medetalibeyoğlu H; Türkan F; Manap S; Bursal E; Beytur M; Aras A; Akyıldırım O; Kotan G; Gürsoy-Kol Ö; Yüksek H
J Biomol Struct Dyn; 2023 Jul; 41(10):4286-4294. PubMed ID: 35442162
[TBL] [Abstract][Full Text] [Related]
6. Density functional modeling, and molecular docking with SARS-CoV-2 spike protein (Wuhan) and omicron S protein (variant) studies of new heterocyclic compounds including a pyrazoline nucleus.
Akman S; Akkoc S; Zeyrek CT; Muhammed MT; Ilhan IO
J Biomol Struct Dyn; 2023; 41(22):12951-12965. PubMed ID: 36709442
[TBL] [Abstract][Full Text] [Related]
7. Design, synthesis, spectroscopic characterizations, single crystal X-ray analysis,
Kaya G; Noma SAA; Barut Celepci D; Bayıl İ; Taskin-Tok T; Gök Y; Ateş B; Aktaş A; Aygün M; Tezcan B
J Biomol Struct Dyn; 2023; 41(21):11728-11747. PubMed ID: 36622368
[TBL] [Abstract][Full Text] [Related]
8. Design and Synthesis of Carbothioamide/Carboxamide-Based Pyrazoline Analogs as Potential Anticancer Agents: Apoptosis, Molecular Docking, ADME Assay, and DNA Binding Studies.
Rana M; Faizan MI; Dar SH; Ahmad T; Rahisuddin
ACS Omega; 2022 Jul; 7(26):22639-22656. PubMed ID: 35811873
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. 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]
11. Computational approaches for evaluation of isobavachin as potential inhibitor against t877a and w741l mutations in prostate cancer.
Browne RB; Goswami N; Borah P; Roy JD
J Biomol Struct Dyn; 2023 Apr; 41(6):2398-2418. PubMed ID: 35118933
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Synthesis, dielectric properties, molecular docking and ADME studies of pyrrole-3-ones.
Çapan İ; Gümüş M; Gökce H; Çetin H; Sert Y; Koca İ
J Biomol Struct Dyn; 2022; 40(19):8655-8671. PubMed ID: 33890547
[TBL] [Abstract][Full Text] [Related]
14. The novel tetrahydropyrimidine derivative as inhibitor of SARS CoV-2: synthesis, modeling and molecular docking analysis.
Karagoz Genç Z; Genç M; Çoşut B; Turgut M
J Biomol Struct Dyn; 2022; 40(20):10045-10056. PubMed ID: 34180374
[TBL] [Abstract][Full Text] [Related]
15. Novel computational and drug design strategies for inhibition of human papillomavirus-associated cervical cancer and DNA polymerase theta receptor by Apigenin derivatives.
Akash S; Bayıl I; Hossain MS; Islam MR; Hosen ME; Mekonnen AB; Nafidi HA; Bin Jardan YA; Bourhia M; Bin Emran T
Sci Rep; 2023 Oct; 13(1):16565. PubMed ID: 37783745
[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. Molecular docking study and molecular dynamic simulation of human cyclooxygenase-2 (COX-2) with selected eutypoids.
Taidi L; Maurady A; Britel MR
J Biomol Struct Dyn; 2022 Feb; 40(3):1189-1204. PubMed ID: 32990169
[TBL] [Abstract][Full Text] [Related]
18.
Akabli T; Toufik H; Lamchouri F
J Biomol Struct Dyn; 2022 Jun; 40(9):3965-3978. PubMed ID: 33252029
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. Discovery of new 1,4-disubstituted 1,2,3-triazoles:
Şahin İ; Çeşme M; Yüce N; Tümer F
J Biomol Struct Dyn; 2023 Mar; 41(5):1988-2001. PubMed ID: 35057704
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]