HARESH AJANI
HARESH AJANI
Institute of Organic Chemistry and Biochemistry
E-mailová adresa ověřena na: uochb.cas.cz
Název
Citace
Citace
Rok
Malonate-based inhibitors of mammalian serine racemase: kinetic characterization and structure-based computational study
B Vorlová, D Nachtigallová, J Jirásková-Vaníčková, H Ajani, P Jansa, ...
European journal of medicinal chemistry 89, 189-197, 2015
492015
Unraveling the Structure–Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids
D Sigwalt, M Sekutor, L Cao, PY Zavalij, J Hostas, H Ajani, P Hobza, ...
Journal of the American Chemical Society 139 (8), 3249-3258, 2017
482017
Characteristics of a σ-Hole and the Nature of a Halogen Bond
MH Kolář, P Deepa, H Ajani, A Pecina, P Hobza
Halogen bonding II, 1-25, 2014
292014
Synthesis and structure–activity relationship of potent, selective and orally active anthranilamide-based factor Xa inhibitors: Application of weakly basic sulfoximine group as …
V Pandya, M Jain, G Chakrabarti, H Soni, B Parmar, B Chaugule, J Patel, ...
European journal of medicinal chemistry 58, 136-152, 2012
282012
Synthesis, structural characterization, docking, lipophilicity and cytotoxicity of 1-[(1R)-1-(6-fluoro-1, 3-benzothiazol-2-yl) ethyl]-3-alkyl carbamates, novel …
V Pejchal, Š Štěpánková, M Pejchalová, K Královec, R Havelek, ...
Bioorganic & Medicinal Chemistry 24 (7), 1560-1572, 2016
262016
Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo [1, 5-a] pyrimidines
M Hylsová, B Carbain, J Fanfrlík, L Musilová, S Haldar, C Köprülüoğlu, ...
European journal of medicinal chemistry 126, 1118-1128, 2017
232017
A Nexus between Theory and Experiment: Non‐Empirical Quantum Mechanical Computational Methodology Applied to Cucurbit[n]uril⋅Guest Binding Interactions
J Hostaš, D Sigwalt, M Šekutor, H Ajani, M Dubecký, J Řezáč, PY Zavalij, ...
Chemistry–A European Journal 22 (48), 17226-17238, 2016
162016
Evaluation of antidiabetic effect of methanolic extract of Inula racemosa root in rats
HB Ajani, HP Patel, GB Shah, SR Acharya, SK Shah
Pharmacologyonline 3, 118-129, 2009
162009
Superior performance of the SQM/COSMO scoring functions in native pose recognition of diverse protein–ligand complexes in cognate docking
H Ajani, A Pecina, SM Eyrilmez, J Fanfrlík, S Haldar, J Řezáč, P Hobza, ...
ACS omega 2 (7), 4022-4029, 2017
132017
IDD388 polyhalogenated derivatives as probes for an improved structure-based selectivity of AKR1B10 inhibitors
A Cousido-Siah, FX Ruiz, J Fanfrlik, J Giménez-Dejoz, A Mitschler, ...
ACS chemical biology 11 (10), 2693-2705, 2016
132016
Discovery of N2-(4-Amino-cyclohexyl)-9-cyclopentyl-N6-(4-morpholin-4-ylmethyl-phenyl)-9H-purine-2,6-diamine as a Potent FLT3 Kinase Inhibitor for Acute …
T Gucký, E Řezníčková, T Radošová Muchová, R Jorda, Z Klejová, ...
Journal of medicinal chemistry 61 (9), 3855-3869, 2018
122018
Imidazo[1,2‐c]pyrimidin‐5(6H)‐one as a novel core of cyclin‐dependent kinase 2 inhibitors: Synthesis, activity measurement, docking, and quantum mechanical …
H Ajani, J Jansa, C Köprülüoğlu, P Hobza, V Kryštof, A Lyčka, M Lepsik
Journal of Molecular Recognition 31 (9), e2720, 2018
62018
Tetrahydropyrazolo [1, 5-a] pyridine-fused steroids and their in vitro biological evaluation in prostate cancer
R Jorda, SMM Lopes, E Řezníčková, H Ajani, AV Pereira, CSB Gomes, ...
European journal of medicinal chemistry 178, 168-176, 2019
52019
Polysubstituted Pyrimidines as mPGES‐1 Inhibitors: Discovery of Potent Inhibitors of PGE2 Production with a Strong Anti‐inflammatory Effects in Carrageenan‐Induced Rat Paw Edema
F Kalčic, V Kolman, H Ajani, Z Zídek, Z Janeba
ChemMedChem, 2020
22020
Activity of 2, 6, 9-trisubstituted purines as potent PDGFRα kinase inhibitors with antileukaemic activity
E Řezníčková, T Gucký, V Kováčová, H Ajani, R Jorda, V Kryštof
European Journal of Medicinal Chemistry 182, 111663, 2019
12019
The synthesis and cholinesterase inhibitory activities of solasodine analogues with seven-membered F ring
U Kiełczewska, R Jorda, G Gonzalez, JW Morzycki, H Ajani, K Svrčková, ...
The Journal of Steroid Biochemistry and Molecular Biology 205, 105776, 2020
2020
Optimization of norbornyl‐based carbocyclic nucleoside analogs as cyclin‐dependent kinase 2 inhibitors
C Köprülüoğlu, M Dejmek, M Šála, H Ajani, H Hřebabecký, J Fanfrlík, ...
Journal of Molecular Recognition, e2842, 2020
2020
Inside Back Cover: A Nexus between Theory and Experiment: Non‐Empirical Quantum Mechanical Computational Methodology Applied to Cucurbit[n]uril⋅Guest …
J Hostaš, D Sigwalt, M Šekutor, H Ajani, M Dubecký, J Řezáč, PY Zavalij, ...
Chemistry–A European Journal 22 (48), 17487-17487, 2016
2016
Effect of introducing aib in a designed helical inhibitor of hdm2‐p53 interaction: A molecular dynamics study
S Chattopadhyay, H Ajani, G Basu
Peptide Science 106 (1), 51-61, 2016
2016
Halogen Bonding II: Impact on Materials Chemistry and Life Sciences
H Ajani
Springer, 2015
2015
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Články 1–20