206 related articles for article (PubMed ID: 35983603)
1. Identification of new small molecule monoamine oxidase-B inhibitors through pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation studies.
Kumar S; Ayyannan SR
J Biomol Struct Dyn; 2023; 41(14):6789-6810. PubMed ID: 35983603
[TBL] [Abstract][Full Text] [Related]
2. Identification of new small molecule allosteric SHP2 inhibitor through pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation studies, synthesis and
Mitra R; Kumar S; Ayyannan SR
J Biomol Struct Dyn; 2023 Dec; ():1-20. PubMed ID: 38095360
[TBL] [Abstract][Full Text] [Related]
3. Field and atom-based 3D-QSAR models of chromone (1-benzopyran-4-one) derivatives as MAO inhibitors.
Saha M; Gupta S; Dhiman S; Asati V; Ali A; Ali A
J Biomol Struct Dyn; 2023; 41(21):12171-12185. PubMed ID: 36650997
[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.
Ayaz M; Wadood A; Sadiq A; Ullah F; Anichkina O; Ghufran M
J Biomol Struct Dyn; 2022; 40(20):10230-10238. PubMed ID: 34157942
[TBL] [Abstract][Full Text] [Related]
6. Pharmacophore based virtual screening for identification of effective inhibitors to combat HPV 16 E6 driven cervical cancer.
Mohan A; Krishnamoorthy S; Sabanayagam R; Schwenk G; Feng E; Ji HF; Muthusami S
Eur J Pharmacol; 2023 Oct; 957():175961. PubMed ID: 37549730
[TBL] [Abstract][Full Text] [Related]
7. Identification of Novel Phyto-chemicals from Ocimum basilicum for the Treatment of Parkinson's Disease using In Silico Approach.
Mubashir N; Fatima R; Naeem S
Curr Comput Aided Drug Des; 2020; 16(4):420-434. PubMed ID: 32883197
[TBL] [Abstract][Full Text] [Related]
8. Ligand-based pharmacophore modeling of TNF-α to design novel inhibitors using virtual screening and molecular dynamics.
Jade DD; Pandey R; Kumar R; Gupta D
J Biomol Struct Dyn; 2022 Mar; 40(4):1702-1718. PubMed ID: 33034255
[TBL] [Abstract][Full Text] [Related]
9. Identification of Butyrylcholinesterase and Monoamine Oxidase B Targeted Ligands and their Putative Application in Alzheimer's Treatment: A Computational Strategy.
Jabir NR; Rehman MT; Tabrez S; Alserihi RF; AlAjmi MF; Khan MS; Husain FM; Ahmed BA
Curr Pharm Des; 2021; 27(20):2425-2434. PubMed ID: 33634754
[TBL] [Abstract][Full Text] [Related]
10. Machine learning accelerates pharmacophore-based virtual screening of MAO inhibitors.
Cieślak M; Danel T; Krzysztyńska-Kuleta O; Kalinowska-Tłuścik J
Sci Rep; 2024 Apr; 14(1):8228. PubMed ID: 38589405
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's disease.
Iqbal S; Anantha Krishnan D; Gunasekaran K
J Biomol Struct Dyn; 2018 Nov; 36(15):4029-4044. PubMed ID: 29182053
[TBL] [Abstract][Full Text] [Related]
13. Identification of a Chlorogenic Ester as a Monoamine Oxidase (MAO-B) Inhibitor by Integrating "Traditional and Machine Learning" Virtual Screening and In Vitro as well as In Vivo Validation: A Lead against Neurodegenerative Disorders?
Dhanabalan AK; Subaraja M; Palanichamy K; Velmurugan D; Gunasekaran K
ACS Chem Neurosci; 2021 Oct; 12(19):3690-3707. PubMed ID: 34553601
[TBL] [Abstract][Full Text] [Related]
14. Computational Simulations Identified Two Candidate Inhibitors of Cdk5/p25 to Abrogate Tau-associated Neurological Disorders.
Zeb A; Son M; Yoon S; Kim JH; Park SJ; Lee KW
Comput Struct Biotechnol J; 2019; 17():579-590. PubMed ID: 31073393
[TBL] [Abstract][Full Text] [Related]
15. Deciphering the Interactions of Bioactive Compounds in Selected Traditional Medicinal Plants against Alzheimer's Diseases via Pharmacophore Modeling, Auto-QSAR, and Molecular Docking Approaches.
Ojo OA; Ojo AB; Okolie C; Nwakama MC; Iyobhebhe M; Evbuomwan IO; Nwonuma CO; Maimako RF; Adegboyega AE; Taiwo OA; Alsharif KF; Batiha GE
Molecules; 2021 Apr; 26(7):. PubMed ID: 33915968
[TBL] [Abstract][Full Text] [Related]
16. Pharmacophore-based virtual screening, molecular docking and molecular dynamics simulations study for the identification of LIM kinase-1 inhibitors.
Singh R; Pokle AV; Ghosh P; Ganeshpurkar A; Swetha R; Singh SK; Kumar A
J Biomol Struct Dyn; 2023; 41(13):6089-6103. PubMed ID: 35862656
[TBL] [Abstract][Full Text] [Related]
17. Structural exploration of selected C6 and C7-substituted coumarin isomers as selective MAO-B inhibitors.
Boulaamane Y; Ahmad I; Patel H; Das N; Britel MR; Maurady A
J Biomol Struct Dyn; 2023 Apr; 41(6):2326-2340. PubMed ID: 35168478
[TBL] [Abstract][Full Text] [Related]
18. Pharmacophore development, drug-likeness analysis, molecular docking, and molecular dynamics simulations for identification of new CK2 inhibitors.
Hammad S; Bouaziz-Terrachet S; Meghnem R; Meziane D
J Mol Model; 2020 May; 26(6):160. PubMed ID: 32472293
[TBL] [Abstract][Full Text] [Related]
19. Knowledge based identification of MAO-B selective inhibitors using pharmacophore and structure based virtual screening models.
Boppana K; Dubey PK; Jagarlapudi SA; Vadivelan S; Rambabu G
Eur J Med Chem; 2009 Sep; 44(9):3584-90. PubMed ID: 19321235
[TBL] [Abstract][Full Text] [Related]
20. Pharmacophore-based virtual screening, molecular docking, and molecular dynamics studies for the discovery of novel FLT3 inhibitors.
Ouassaf M; Daoui O; Alam S; Elkhattabi S; Belaidi S; Chtita S
J Biomol Struct Dyn; 2023; 41(16):7712-7724. PubMed ID: 36106982
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]