Detalles de la búsqueda
1.
Monte Carlo Optimization Method Based QSAR Modeling of Placental Barrier Permeability.
Pharm Res
; 41(3): 493-500, 2024 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-38337105
2.
Development of Novel Therapeutics for Schizophrenia Treatment Based on a Selective Positive Allosteric Modulation of α1-Containing GABAARs-In Silico Approach.
Curr Issues Mol Biol
; 44(8): 3398-3412, 2022 Jul 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-36005130
3.
In silico approach for the development of novel antiviral compounds based on SARS-COV-2 protease inhibition.
Chem Zvesti
; 76(7): 4393-4404, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35400796
4.
Semi-correlations combined with the index of ideality of correlation: a tool to build up model of mutagenic potential.
Mol Cell Biochem
; 452(1-2): 133-140, 2019 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-30074137
5.
Potent anti-melanogenic activity and favorable toxicity profile of selected 4-phenyl hydroxycoumarins in the zebrafish model and the computational molecular modeling studies.
Bioorg Med Chem
; 25(24): 6286-6296, 2017 12 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-29042224
6.
Synthesis and evaluation of thiophene-based guanylhydrazones (iminoguanidines) efficient against panel of voriconazole-resistant fungal isolates.
Bioorg Med Chem
; 24(6): 1277-91, 2016 Mar 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-26867487
7.
Nano-QSAR: Model of mutagenicity of fullerene as a mathematical function of different conditions.
Ecotoxicol Environ Saf
; 124: 32-36, 2016 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-26452192
8.
Monte carlo method-based QSAR modeling of penicillins binding to human serum proteins.
Arch Pharm (Weinheim)
; 348(1): 62-7, 2015 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-25408278
9.
SMILES-based QSAR models for the calcium channel-antagonistic effect of 1,4-dihydropyridines.
Arch Pharm (Weinheim)
; 346(2): 134-9, 2013 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-23280520
10.
Development of QSAR model based on Monte Carlo optimization for predicting GABAA receptor binding of newly emerging benzodiazepines.
Acta Chim Slov
; 70(4): 634-641, 2023 Nov 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38124634
11.
SARS-CoV Mpro inhibitory activity of aromatic disulfide compounds: QSAR model.
J Biomol Struct Dyn
; 40(2): 780-786, 2022 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-32907512
12.
Clinically used antifungal azoles as ligands for gold(III) complexes: the influence of the Au(III) ion on the antimicrobial activity of the complex.
Dalton Trans
; 51(13): 5322-5334, 2022 Mar 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-35293926
13.
In silico development of potential therapeutic for the pain treatment by inhibiting voltage-gated sodium channel 1.7.
Comput Biol Med
; 132: 104346, 2021 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-33774271
14.
The Application of the Combination of Monte Carlo Optimization Method based QSAR Modeling and Molecular Docking in Drug Design and Development.
Mini Rev Med Chem
; 20(14): 1389-1402, 2020.
Artículo
en Inglés
| MEDLINE | ID: mdl-32048970
15.
In silico development of anesthetics based on barbiturate and thiobarbiturate inhibition of GABAA.
Comput Biol Chem
; 88: 107318, 2020 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-32622179
16.
Copper(II) and Zinc(II) Complexes with the Clinically Used Fluconazole: Comparison of Antifungal Activity and Therapeutic Potential.
Pharmaceuticals (Basel)
; 14(1)2020 Dec 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-33396681
17.
Design and development of novel therapeutics for brucellosis treatment based on carbonic anhydrase inhibition.
J Biomol Struct Dyn
; 38(6): 1848-1857, 2020 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-31096856
18.
Design and development of novel therapeutics for coronary heart disease treatment based on cholesteryl ester transfer protein inhibition - in silico approach.
J Biomol Struct Dyn
; 38(8): 2304-2313, 2020 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-31215331
19.
The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-models.
Sci Total Environ
; 659: 1387-1394, 2019 Apr 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-31096349
20.
Development and design of novel cardiovascular therapeutics based on Rho kinase inhibition-In silico approach.
Comput Biol Chem
; 79: 55-62, 2019 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-30716601