1508 related articles for article (PubMed ID: 30324898)
21. 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]
22. Identification of potential CRAC channel inhibitors: Pharmacophore mapping, 3D-QSAR modelling, and molecular docking approach.
Bhuvaneshwari S; Sankaranarayanan K
SAR QSAR Environ Res; 2019 Feb; 30(2):81-108. PubMed ID: 30773908
[TBL] [Abstract][Full Text] [Related]
23. In silico design of novel quinazoline-based compounds as potential Mycobacterium tuberculosis PknB inhibitors through 2D and 3D-QSAR, molecular dynamics simulations combined with pharmacokinetic predictions.
Hanwarinroj C; Thongdee P; Sukchit D; Taveepanich S; Kamsri P; Punkvang A; Ketrat S; Saparpakorn P; Hannongbua S; Suttisintong K; Kittakoop P; Spencer J; Mulholland AJ; Pungpo P
J Mol Graph Model; 2022 Sep; 115():108231. PubMed ID: 35667143
[TBL] [Abstract][Full Text] [Related]
24. Structure-activity relationships of antitubercular nitroimidazoles. 3. Exploration of the linker and lipophilic tail of ((s)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-(4-trifluoromethoxybenzyl)amine (6-amino PA-824).
Cherian J; Choi I; Nayyar A; Manjunatha UH; Mukherjee T; Lee YS; Boshoff HI; Singh R; Ha YH; Goodwin M; Lakshminarayana SB; Niyomrattanakit P; Jiricek J; Ravindran S; Dick T; Keller TH; Dartois V; Barry CE
J Med Chem; 2011 Aug; 54(16):5639-59. PubMed ID: 21755942
[TBL] [Abstract][Full Text] [Related]
25. Identification of DprE1 inhibitors for tuberculosis through integrated in-silico approaches.
Dash S; Rathi E; Kumar A; Chawla K; Kini SG
Sci Rep; 2024 May; 14(1):11315. PubMed ID: 38760437
[TBL] [Abstract][Full Text] [Related]
26. Structure-Based Design and in Silico Screening of Virtual Combinatorial Library of Benzamides Inhibiting 2-trans Enoyl-Acyl Carrier Protein Reductase of
Kouman KC; Keita M; Kre N'Guessan R; Owono Owono LC; Megnassan E; Frecer V; Miertus S
Int J Mol Sci; 2019 Sep; 20(19):. PubMed ID: 31554227
[TBL] [Abstract][Full Text] [Related]
27. Stepwise development of structure-activity relationship of diverse PARP-1 inhibitors through comparative and validated in silico modeling techniques and molecular dynamics simulation.
Halder AK; Saha A; Saha KD; Jha T
J Biomol Struct Dyn; 2015; 33(8):1756-79. PubMed ID: 25350685
[TBL] [Abstract][Full Text] [Related]
28. Synthesis, reduction potentials, and antitubercular activity of ring A/B analogues of the bioreductive drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824).
Thompson AM; Blaser A; Anderson RF; Shinde SS; Franzblau SG; Ma Z; Denny WA; Palmer BD
J Med Chem; 2009 Feb; 52(3):637-45. PubMed ID: 19099398
[TBL] [Abstract][Full Text] [Related]
29. Atom-based 3D-QSAR, induced fit docking, and molecular dynamics simulations study of thieno[2,3-b]pyridines negative allosteric modulators of mGluR5.
Vijaya Prabhu S; Singh SK
J Recept Signal Transduct Res; 2018 Jun; 38(3):225-239. PubMed ID: 29806525
[TBL] [Abstract][Full Text] [Related]
30. Effect of hydrophobic and hydrogen bonding interactions on the potency of ß-alanine analogs of G-protein coupled glucagon receptor inhibitors.
Venugopal PP; Das BK; Soorya E; Chakraborty D
Proteins; 2020 Feb; 88(2):327-344. PubMed ID: 31443129
[TBL] [Abstract][Full Text] [Related]
31. Screening of inhibitors as potential remedial against Ebolavirus infection: pharmacophore-based approach.
Sankar M; K L; Jeyachandran S; Pandi B
J Biomol Struct Dyn; 2021 Feb; 39(2):395-408. PubMed ID: 31928158
[TBL] [Abstract][Full Text] [Related]
32. Discovery of Camptothecin Based Topoisomerase I Inhibitors: Identification Using an Atom Based 3D-QSAR, Pharmacophore Modeling, Virtual Screening and Molecular Docking Approach.
Dev S; Dhaneshwar SR; Mathew B
Comb Chem High Throughput Screen; 2016; 19(9):752-763. PubMed ID: 27515040
[TBL] [Abstract][Full Text] [Related]
33. Identification of hydantoin based Decaprenylphosphoryl-β-D-Ribose Oxidase (DprE1) inhibitors as antimycobacterial agents using computational tools.
Mali SN; Pandey A; Bhandare RR; Shaik AB
Sci Rep; 2022 Sep; 12(1):16368. PubMed ID: 36180452
[TBL] [Abstract][Full Text] [Related]
34. Molecular dynamics simulation and binding free energy studies of novel leads belonging to the benzofuran class inhibitors of Mycobacterium tuberculosis Polyketide Synthase 13.
Cruz JN; Costa JFS; Khayat AS; Kuca K; Barros CAL; Neto AMJC
J Biomol Struct Dyn; 2019 Apr; 37(6):1616-1627. PubMed ID: 29633908
[TBL] [Abstract][Full Text] [Related]
35. Probing the binding mechanism of substituted pyridine derivatives as effective and selective lysine-specific demethylase 1 inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations.
Wang ZZ; Yang J; Sun XD; Ma CY; Gao QB; Ding L; Liu HM
J Biomol Struct Dyn; 2019 Aug; 37(13):3482-3495. PubMed ID: 30175693
[TBL] [Abstract][Full Text] [Related]
36. Discovery of promising FtsZ inhibitors by E-pharmacophore, 3D-QSAR, molecular docking study, and molecular dynamics simulation.
Qiu Y; Zhou L; Hu Y; Bao Y
J Recept Signal Transduct Res; 2019 Apr; 39(2):154-166. PubMed ID: 31355691
[TBL] [Abstract][Full Text] [Related]
37. Insight into the structural requirements of thiophene-3-carbonitriles-based MurF inhibitors by 3D-QSAR, molecular docking and molecular dynamics study.
Azam MA; Jupudi S
J Recept Signal Transduct Res; 2017 Oct; 37(5):522-534. PubMed ID: 28768454
[TBL] [Abstract][Full Text] [Related]
38. Synthesis and structure-activity relationships for extended side chain analogues of the antitubercular drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824).
Palmer BD; Sutherland HS; Blaser A; Kmentova I; Franzblau SG; Wan B; Wang Y; Ma Z; Denny WA; Thompson AM
J Med Chem; 2015 Apr; 58(7):3036-59. PubMed ID: 25781074
[TBL] [Abstract][Full Text] [Related]
39. Synthesis and structure-activity relationships of aza- and diazabiphenyl analogues of the antitubercular drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824).
Kmentova I; Sutherland HS; Palmer BD; Blaser A; Franzblau SG; Wan B; Wang Y; Ma Z; Denny WA; Thompson AM
J Med Chem; 2010 Dec; 53(23):8421-39. PubMed ID: 21069962
[TBL] [Abstract][Full Text] [Related]
40. Computational Screening of CCR5 Inhibitors as Potential Entry Inhibitor Microbicides Using 3D-QSAR Studies, Docking and Molecular Dynamics Simulation.
Ramachandran R; Aathi M; Ruban DD; Piramanyagam S
Curr HIV Res; 2017; 15(4):234-244. PubMed ID: 28059045
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]