Synthesis of 6‐[4‐(4‐Propoxyphenyl)piperazin‐1‐yl]‐9 H ‐purine Derivatives as Antimycobacterial and Antifungal Agents: In Vitro Evaluation and In Silico Study

2020 ◽  
Vol 17 (5) ◽  
Author(s):  
Afra Quasar A. Nadaf ◽  
Mahesh S. Najare ◽  
Manjunatha Garbhagudi ◽  
Shivaraj Mantur ◽  
Manjunath G. Sunagar ◽  
...  
Keyword(s):  
In Silico ◽  
Antifungal Agents ◽  
Purine Derivatives ◽  
In Vitro Evaluation ◽  
In Silico Study

New potent antifungal triazole alcohols containing N-benzylpiperazine carbodithioate moiety: Synthesis, in vitro evaluation and in silico study

2019 ◽  
Vol 90 ◽  
pp. 103060 ◽  
Author(s):  
Yaser Mahmoudi ◽  
Hamid Badali ◽  
Seyedeh Mahdieh Hashemi ◽  
Mahsa Ansari ◽  
Hamed Fakhim ◽  
...  
Keyword(s):  
In Silico ◽  
In Vitro Evaluation ◽  
In Silico Study

Tetrahydrocurcumin-loaded vaginal nanomicrobicide for prophylaxis of HIV/AIDS: in silico study, formulation development, and in vitro evaluation

2019 ◽  
Vol 9 (4) ◽  
pp. 828-847 ◽  
Author(s):  
Amit Mirani ◽  
Harish Kundaikar ◽  
Shilpa Velhal ◽  
Vainav Patel ◽  
Atmaram Bandivdekar ◽  
...  
Keyword(s):  
In Silico ◽  
Formulation Development ◽  
In Vitro Evaluation ◽  
In Silico Study ◽  
Hiv Aids

scholarly journals Design, synthesis, in silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel acetylcholinesterase reactivators

2021 ◽  
Vol 36 (1) ◽  
pp. 1370-1377
Author(s):  
Daniel A. S. Kitagawa ◽  
Rafael B. Rodrigues ◽  
Thiago N. Silva ◽  
Wellington V. dos Santos ◽  
Vinicius C. V. da Rocha ◽  
...  
Keyword(s):  
In Silico ◽  
Design Synthesis ◽  
In Vitro Evaluation ◽  
In Silico Studies ◽  
Acetylcholinesterase Reactivators

C0135 In vitro and in silico study of the effect of crocin and safranal on human plasma coagulation

2012 ◽  
Vol 130 ◽  
pp. S167
Author(s):  
Maria Ditsa ◽  
George Geromihalos ◽  
Eleftheria Tragoulia ◽  
Dimitra Markala ◽  
Chrisa Meleti ◽  
...  
Keyword(s):  
Human Plasma ◽  
In Silico ◽  
Plasma Coagulation ◽  
In Silico Study

Synthesis, in vitro anticancer activity and in silico study of new disubstituted thiazolidinedione derivatives

2014 ◽  
Vol 23 (6) ◽  
pp. 3220-3226 ◽  
Author(s):  
Moacyr Jesus Barreto de Melo Rêgo ◽  
Marina Rocha Galdino-Pitta ◽  
Daniel Tarciso Martins Pereira ◽  
Juliana Cruz da Silva ◽  
Marcelo Montenegro Rabello ◽  
...  
Keyword(s):  
Anticancer Activity ◽  
In Silico ◽  
In Silico Study

Synthesis, structures, drug-likeness, in vitro evaluation and in silico docking on novel N-benzoyl-N′-phenyl thiourea derivatives

2019 ◽  
Vol 1176 ◽  
pp. 335-345 ◽  
Author(s):  
Yu Zhang ◽  
Xing Zhang ◽  
Lei Qiao ◽  
Zimei Ding ◽  
Xiaojing Hang ◽  
...  
Keyword(s):  
In Silico ◽  
Thiourea Derivatives ◽  
In Vitro Evaluation ◽  
In Silico Docking

scholarly journals IN SILICO STUDY OF THE ANTIMICROBIAL PROFILE OF β-CITRONELLOL: POTENTIAL AS AN ANTIFUNGAL

2019 ◽  
Vol 16 (32) ◽  
pp. 894-898
Author(s):  
D. F. SILVA ◽  
H. D. NETO ◽  
M. D. L. FERREIRA ◽  
A. A. O. FILHO ◽  
E. O. LIMA
Keyword(s):  
In Silico ◽  
Fungal Infections ◽  
In Silico Analysis ◽  
Fungal Species ◽  
In Silico Study ◽  
Pass Online ◽  
Therapeutic Alternatives ◽  
Bioactivity Profile ◽  
Silico Analysis

β-citronellol (3,7-dimethyl-6-octen-1-ol) has been exhibiting a number of pharmacological effects that creates interest about its antimicrobial potential, since several substances of the monoterpene class have already demonstrated to possess activity in this profile. In addition, the emergence of fungal species resistant to current pharmacotherapy poses a serious challenge to health systems, making it necessary to search for new effective therapeutic alternatives to deal with this problem. In this study, the antimicrobial profile of β-citronellol was analyzed. The Prediction of Activity Spectra for Substances (PASS) online software was used to study the antimicrobial activity of the β-citronellol molecule by the use of in silico analysis. In contrast, an in vitro antifungal study of this monoterpene was carried out. For this purpose, the Minimum Inhibitory Concentration (MIC) was determined by the microdilution technique in 96-well plates in Saboraud Dextrose Broth/RPMI against sensitive strains of Candida albicans, and this assay was performed in duplicate. In the in silico analysis of the antimicrobial profile, it was revealed that the monoterpene β-citronellol had a diverse antimicrobial bioactivity profile. For the antifungal activity, it presented a percentage value with Pa: 58.4% (predominant) and its MIC of 128 μg/mL, which was equivalent for all strains tested. The in silico study of the β-citronellol molecule allowed us to consider that the monoterpenoid is very likely to be bioactive against agents that cause fungal infections.

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