These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
2. Molecular insights into benzene sulphonamide substituted diarylpyrazoles as cyclooxygenase-2 inhibitor and its structural modifications. Priya D; Kathiravan MK J Biomol Struct Dyn; 2021 Sep; 39(14):5093-5104. PubMed ID: 32602808 [TBL] [Abstract][Full Text] [Related]
3. 2,4,6-Trimethoxy chalcone derivatives: an integrated study for redesigning novel chemical entities as anticancer agents through QSAR, molecular docking, ADMET prediction, and computational simulation. Chitre TS; Mandot AM; Bhagwat RD; Londhe ND; Suryawanshi AR; Hirode PV; Bhatambrekar AL; Choudhari SY J Biomol Struct Dyn; 2024 Feb; ():1-24. PubMed ID: 38321946 [TBL] [Abstract][Full Text] [Related]
4. 2-Amino Thiazole Derivatives as Prospective Aurora Kinase Inhibitors against Breast Cancer: QSAR, ADMET Prediction, Molecular Docking, and Molecular Dynamic Simulation Studies. Bathula S; Sankaranarayanan M; Malgija B; Kaliappan I; Bhandare RR; Shaik AB ACS Omega; 2023 Nov; 8(46):44287-44311. PubMed ID: 38027360 [TBL] [Abstract][Full Text] [Related]
5. 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]
6. Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches. Bakal RL; Jawarkar RD; Manwar JV; Jaiswal MS; Ghosh A; Gandhi A; Zaki MEA; Al-Hussain S; Samad A; Masand VH; Mukerjee N; Nasir Abbas Bukhari S; Sharma P; Lewaa I Saudi Pharm J; 2022 Jun; 30(6):693-710. PubMed ID: 35812153 [TBL] [Abstract][Full Text] [Related]
7. QSAR, homology modeling, and docking simulation on SARS-CoV-2 and pseudomonas aeruginosa inhibitors, ADMET, and molecular dynamic simulations to find a possible oral lead candidate. Edache EI; Uzairu A; Mamza PA; Shallangwa GA J Genet Eng Biotechnol; 2022 Dec; 20():88. PubMed ID: 35730025 [TBL] [Abstract][Full Text] [Related]
9. In silico design of novel CDK2 inhibitors through QSAR, ADMET, molecular docking and molecular dynamics simulation studies. Moussaoui M; Baassi M; Baammi S; Soufi H; Salah M; Daoud R; El Allali A; Belghiti ME; Belaaouad S J Biomol Struct Dyn; 2023; 41(23):13646-13662. PubMed ID: 37203327 [TBL] [Abstract][Full Text] [Related]
10. Discovery of new oxadiazolo pyridine derivatives as potent ghrelin O-acyltransferase inhibitors using molecular modeling techniques. Sarkar K; Das B; Das RK In Silico Pharmacol; 2023; 11(1):35. PubMed ID: 37954893 [TBL] [Abstract][Full Text] [Related]
14. Integrating Ligand and Target-Driven Based Virtual Screening Approaches With Tutumlu G; Dogan B; Avsar T; Orhan MD; Calis S; Durdagi S Front Chem; 2020; 8():167. PubMed ID: 32328476 [TBL] [Abstract][Full Text] [Related]
15. In silico studies on p21-activated kinase 4 inhibitors: comprehensive application of 3D-QSAR analysis, molecular docking, molecular dynamics simulations, and MM-GBSA calculation. Gao Y; Wang H; Wang J; Cheng M J Biomol Struct Dyn; 2020 Sep; 38(14):4119-4133. PubMed ID: 31556340 [TBL] [Abstract][Full Text] [Related]
16. QSAR based docking studies of marine algal anticancer compounds as inhibitors of protein kinase B (PKBβ). Davis GD; Vasanthi AH Eur J Pharm Sci; 2015 Aug; 76():110-8. PubMed ID: 25936945 [TBL] [Abstract][Full Text] [Related]
17. QSAR-driven screening uncovers and designs novel pyrimidine-4,6-diamine derivatives as potent JAK3 inhibitors. Faris A; Ibrahim IM; Alnajjar R; Hadni H; Bhat MA; Yaseen M; Chakraborty S; Alsakhen N; Shamkh IM; Mabood F; M Naglah A; Ullah I; Ziedan N; Elhallaoui M J Biomol Struct Dyn; 2023 Dec; ():1-30. PubMed ID: 38059345 [TBL] [Abstract][Full Text] [Related]
18. Discovery of T-1101 tosylate as a first-in-class clinical candidate for Hec1/Nek2 inhibition in cancer therapy. Chuang SH; Lee YE; Huang LYL; Chen CK; Lai CL; Lin YH; Yang JY; Yang SC; Chang LH; Chen CH; Liu CW; Lin HS; Lee YR; Huang KP; Fu KC; Jen HM; Lai JY; Jian PS; Wang YC; Hsueh WY; Tsai PY; Hong WH; Chang CC; Wu DZ; Wu J; Chen MH; Yu KM; Chern CY; Chang JM; Lau JYN; Huang JJ Eur J Med Chem; 2020 Apr; 191():112118. PubMed ID: 32113126 [TBL] [Abstract][Full Text] [Related]
19. Insights into structures of imidazo oxazines as potent polyketide synthase XIII inhibitors using molecular modeling techniques. B S; M K K J Recept Signal Transduct Res; 2020 Aug; 40(4):313-323. PubMed ID: 32228125 [TBL] [Abstract][Full Text] [Related]
20. QSAR study of tetrahydropteridin derivatives as polo-like kinase 1(PLK1) Inhibitors with molecular docking and dynamics study. Garima ; Sharma S; Sindhu J; Kumar P SAR QSAR Environ Res; 2023 Feb; 34(2):91-116. PubMed ID: 36744430 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]