120 related articles for article (PubMed ID: 36995235)
1. Sequential virtual screening collaborated with machine-learning strategies for the discovery of precise medicine against non-small cell lung cancer.
Thirunavukkarasu MK; Veerappapillai S; Karuppasamy R
J Biomol Struct Dyn; 2024; 42(2):615-628. PubMed ID: 36995235
[TBL] [Abstract][Full Text] [Related]
2. Computational biophysics approach towards the discovery of multi-kinase blockers for the management of MAPK pathway dysregulation.
Thirunavukkarasu MK; Veerappapillai S; Karuppasamy R
Mol Divers; 2023 Oct; 27(5):2093-2110. PubMed ID: 36260173
[TBL] [Abstract][Full Text] [Related]
3. Drug repurposing combined with MM/PBSA based validation strategies towards MEK inhibitors screening.
Thirunavukkarasu MK; Karuppasamy R
J Biomol Struct Dyn; 2022; 40(22):12392-12403. PubMed ID: 34459701
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Pharmacophore based virtual screening, molecular docking and molecular dynamic simulation studies for finding ROS1 kinase inhibitors as potential drug molecules.
Vanajothi R; Vedagiri H; Al-Ansari MM; Al-Humaid LA; Kumpati P
J Biomol Struct Dyn; 2022 May; 40(8):3385-3399. PubMed ID: 33200682
[TBL] [Abstract][Full Text] [Related]
6. Identification of luteolin -7-glucoside and epicatechin gallate from
Maiti P; Nand M; Joshi T; Ramakrishnan MA; Chandra S
J Biomol Struct Dyn; 2021 Sep; 39(14):5048-5057. PubMed ID: 32579072
[TBL] [Abstract][Full Text] [Related]
7. Identification of novel discoidin domain receptor 1 (DDR1) inhibitors using E-pharmacophore modeling, structure-based virtual screening, molecular dynamics simulation and MM-GBSA approaches.
Nada H; Lee K; Gotina L; Pae AN; Elkamhawy A
Comput Biol Med; 2022 Mar; 142():105217. PubMed ID: 35032738
[TBL] [Abstract][Full Text] [Related]
8. Discovery of potent DNMT1 inhibitors against sickle cell disease using structural-based virtual screening, MM-GBSA and molecular dynamics simulation-based approaches.
Ala C; Joshi RP; Gupta P; Ramalingam S; Sankaranarayanan M
J Biomol Struct Dyn; 2024; 42(1):261-273. PubMed ID: 37061929
[TBL] [Abstract][Full Text] [Related]
9. Density Functional Theory and Molecular Simulation Studies for Prioritizing Anaplastic Lymphoma Kinase Inhibitors.
James N; Shanthi V; Ramanathan K
Appl Biochem Biotechnol; 2020 Apr; 190(4):1127-1146. PubMed ID: 31712989
[TBL] [Abstract][Full Text] [Related]
10. Combined machine learning and pharmacophore based virtual screening approaches to screen for antibiofilm inhibitors targeting LasR of
Vetrivel A; Ramasamy J; Natchimuthu S; Senthil K; Ramasamy M; Murugesan R
J Biomol Struct Dyn; 2023 Jun; 41(9):4124-4142. PubMed ID: 35451916
[No Abstract] [Full Text] [Related]
11. Structure-based virtual screening and molecular dynamics simulations for detecting novel candidates for allosteric inhibition of EGFRT790M.
Çoban G
J Biomol Struct Dyn; 2024; 42(2):571-597. PubMed ID: 37029759
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Targeting the NF-κB/IκBα complex via fragment-based E-Pharmacophore virtual screening and binary QSAR models.
Kanan T; Kanan D; Erol I; Yazdi S; Stein M; Durdagi S
J Mol Graph Model; 2019 Jan; 86():264-277. PubMed ID: 30415122
[TBL] [Abstract][Full Text] [Related]
14. In Silico Screening of Available Drugs Targeting Non-Small Cell Lung Cancer Targets: A Drug Repurposing Approach.
Thirunavukkarasu MK; Suriya U; Rungrotmongkol T; Karuppasamy R
Pharmaceutics; 2021 Dec; 14(1):. PubMed ID: 35056955
[TBL] [Abstract][Full Text] [Related]
15. Discovery of Potent ALK Inhibitors Using Pharmacophore-Informatics Strategy.
James N; Ramanathan K
Cell Biochem Biophys; 2018 Jun; 76(1-2):111-124. PubMed ID: 28477056
[TBL] [Abstract][Full Text] [Related]
16. Targeting homologous recombination (HR) repair mechanism for cancer treatment: discovery of new potential UCHL-3 inhibitors
Alakhdar AA; Saleh AH; Arafa RK
J Biomol Struct Dyn; 2022 Jan; 40(1):276-289. PubMed ID: 32851933
[TBL] [Abstract][Full Text] [Related]
17. Drug repurposing against the RNA-dependent RNA polymerase domain of dengue serotype 3 by virtual screening and molecular dynamics simulations.
Gangopadhyay A; Saha A
J Biomol Struct Dyn; 2023 Jul; 41(11):5152-5165. PubMed ID: 35642087
[TBL] [Abstract][Full Text] [Related]
18. Molecular screening reveals Variolin B as a multitargeted inhibitor of lung cancer: a molecular docking-based fingerprinting and molecular dynamics simulation study.
Almasoudi HH; Mashraqi MM; Alshamrani S; Alsalmi O; Alharthi AA; Gharib AF
J Biomol Struct Dyn; 2024; 42(1):11-21. PubMed ID: 37771142
[TBL] [Abstract][Full Text] [Related]
19. Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches.
Rehman HM; Sajjad M; Ali MA; Gul R; Naveed M; Aslam MS; Shinwari K; Bhinder MA; Ghani MU; Saleem M; Rather MA; Ahmad I; Amin A
Int J Biol Macromol; 2023 May; 237():124169. PubMed ID: 36990409
[TBL] [Abstract][Full Text] [Related]
20. Novel and Potential Small Molecule Scaffolds as DYRK1A Inhibitors by Integrated Molecular Docking-Based Virtual Screening and Dynamics Simulation Study.
Shahroz MM; Sharma HK; Altamimi ASA; Alamri MA; Ali A; Ali A; Alqahtani S; Altharawi A; Alabbas AB; Alossaimi MA; Riadi Y; Firoz A; Afzal O
Molecules; 2022 Feb; 27(4):. PubMed ID: 35208955
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
