305 related articles for article (PubMed ID: 37241785)
21. Structure-based pharmacophore modeling, virtual screening and simulation studies for the identification of potent anticancerous phytochemical lead targeting cyclin-dependent kinase 2.
Sharma M; Sharma N; Muddassir M; Rahman QI; Dwivedi UN; Akhtar S
J Biomol Struct Dyn; 2022; 40(20):9815-9832. PubMed ID: 34151738
[TBL] [Abstract][Full Text] [Related]
22. Identification of selective MMP-9 inhibitors through multiple e-pharmacophore, ligand-based pharmacophore, molecular docking, and density functional theory approaches.
Jana S; Singh SK
J Biomol Struct Dyn; 2019 Mar; 37(4):944-965. PubMed ID: 29475408
[TBL] [Abstract][Full Text] [Related]
23. In silico insights into the identification of potential novel angiogenic inhibitors against human VEGFR-2: a new SAR-based hierarchical clustering approach.
Konidala KK; Bommu UD; Pabbaraju N
J Recept Signal Transduct Res; 2018 Aug; 38(4):372-383. PubMed ID: 30396316
[TBL] [Abstract][Full Text] [Related]
24. Discovery of potential inhibitors for stat3: ligand based 3D pharmacophore, virtual screening, molecular docking, dynamic studies and
Lakshmanan K; T K P; K Pai SR; Rajagopal K; Byran G
J Biomol Struct Dyn; 2022; 40(21):11320-11338. PubMed ID: 34463213
[TBL] [Abstract][Full Text] [Related]
25. 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, MD simulations, in vitro and in vivo studies to identify potential anti-hyperplasia drugs.
Khan MZI; Khan D; Akbar MY; Wang H; Haq IU; Chen JZ
Biotechnol J; 2024 Feb; 19(2):e2300437. PubMed ID: 38403464
[TBL] [Abstract][Full Text] [Related]
26. 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]
27. Structural insight into TNF-α inhibitors through combining pharmacophore-based virtual screening and molecular dynamic simulation.
Qaiser H; Saeed M; Nerukh D; Ul-Haq Z
J Biomol Struct Dyn; 2021 Oct; 39(16):5920-5939. PubMed ID: 32705954
[TBL] [Abstract][Full Text] [Related]
28. Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking, ADMET, and Molecular Dynamics (MD) Simulation of Potential Inhibitors of PD-L1 from the Library of Marine Natural Products.
Luo L; Zhong A; Wang Q; Zheng T
Mar Drugs; 2021 Dec; 20(1):. PubMed ID: 35049884
[TBL] [Abstract][Full Text] [Related]
29. Virtual Screening, Docking, and Designing of New VEGF Inhibitors as Anti-cancer Agents.
Patel S; Singh VR; Suman AK; Jain S; Sen AK
Curr Drug Discov Technol; 2024; 21(1):e101023222024. PubMed ID: 38629172
[TBL] [Abstract][Full Text] [Related]
30. Identifying natural products for gastric cancer treatment through pharmacophore creation, 3D QSAR, virtual screening, and molecular dynamics studies.
Jalali Z; Nejad Ebrahimi S; Rezadoost H
Daru; 2023 Dec; 31(2):243-258. PubMed ID: 37733194
[TBL] [Abstract][Full Text] [Related]
31. Search for potentially biased epidermal growth factor receptor (EGFR) inhibitors through pharmacophore modelling, molecular docking, and molecular dynamics (MD) simulation approaches.
Jethwa M; Gangopadhyay A; Saha A
J Biomol Struct Dyn; 2023 Mar; 41(5):1681-1689. PubMed ID: 35014597
[TBL] [Abstract][Full Text] [Related]
32. Anti-viral drug discovery against monkeypox and smallpox infection by natural curcumin derivatives: A Computational drug design approach.
Akash S; Hossain A; Hossain MS; Rahman MM; Ahmed MZ; Ali N; Valis M; Kuca K; Sharma R
Front Cell Infect Microbiol; 2023; 13():1157627. PubMed ID: 37033493
[TBL] [Abstract][Full Text] [Related]
33. Molecular dynamics simulation, 3D-pharmacophore and scaffold hopping analysis in the design of multi-target drugs to inhibit potential targets of COVID-19.
Fayyazi N; Mostashari-Rad T; Ghasemi JB; Ardakani MM; Kobarfard F
J Biomol Struct Dyn; 2022; 40(22):11787-11808. PubMed ID: 34405765
[TBL] [Abstract][Full Text] [Related]
34. In Silico and In Vitro Screening of 50 Curcumin Compounds as EGFR and NF-κB Inhibitors.
Saeed MEM; Yücer R; Dawood M; Hegazy MF; Drif A; Ooko E; Kadioglu O; Seo EJ; Kamounah FS; Titinchi SJ; Bachmeier B; Efferth T
Int J Mol Sci; 2022 Apr; 23(7):. PubMed ID: 35409325
[TBL] [Abstract][Full Text] [Related]
35. mPGES-1 Inhibitor Discovery Based on Computer-Aided Screening: Pharmacophore Models, Molecular Docking, ADMET, and MD Simulations.
Huang Q; Lai T; Wang Q; Luo L
Molecules; 2023 Aug; 28(16):. PubMed ID: 37630311
[TBL] [Abstract][Full Text] [Related]
36. Discovery of potential FGFR3 inhibitors via QSAR, pharmacophore modeling, virtual screening and molecular docking studies against bladder cancer.
Ganji M; Bakhshi S; Shoari A; Ahangari Cohan R
J Transl Med; 2023 Feb; 21(1):111. PubMed ID: 36765337
[TBL] [Abstract][Full Text] [Related]
37. 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]
38. 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]
39. Identification of novel STAT3 inhibitors for liver fibrosis, using pharmacophore-based virtual screening, molecular docking, and biomolecular dynamics simulations.
Rafiq H; Hu J; Hakami MA; Hazazi A; Alamri MA; Alkhatabi HA; Mahmood A; Alotaibi BS; Wadood A; Huang X
Sci Rep; 2023 Nov; 13(1):20147. PubMed ID: 37978263
[TBL] [Abstract][Full Text] [Related]
40.
Chowrasia D; Jafri A; Azad I; Rais J; Sharma N; Khan F; Kumar A; Kumar S; Arshad M
J Biomol Struct Dyn; 2022 Nov; 40(18):8569-8586. PubMed ID: 33955334
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
