Graphical Abstracts

i Current Bioactive Compounds 2014, Vol. 10, No. 3
Graphical Abstracts
Graphical Abstracts
Current Bioactive Compounds 2014, Vol. 10, No. 3
140
New Ketonethiosemicarbazones for Melanogenesis Inhibition
Karina A. Barrosa, Cheila N. G. Bedorb, Carlton A. Taftc and Antonio C. Pavãoa,*
a
Departamento de Química Fundamental, Universidade Federal de Pernambuco, Av. Prof. Moraes Rego, 1235, CEP
50670-901, Recife, PE, Brazil; bUniversidade Federal do Vale do São Francisco, Av. José de Sá Maniçoba, S/N,
CEP 56304-205, Petrolina, PE, Brazil; cCentro Brasileiro de Pesquisas Físicas, Rua Dr. Xavier Sigaud, 150, CEP
22290-180, Rio de Janeiro, Brazil
Ketonethiosemicarbazones derivatives with potential for inhibiting melanogenesis were investigated by molecular
orbital calculations and statistical analysis QSAR.
Current Bioactive Compounds 2014, Vol. 10, No. 3
147
Computational Medicinal Chemistry to Design Novel Phosphoinositide 3-Kinase (PI3K) Alpha Inhibitors in View of
Cancer
Lorane Izabel da Silva Hage-Melim1*, Cleydson Breno R. Santos1, João Gabriel Poiani2, Miguel de Menezes Vaidergom2, Eduardo Scandinari Manzolli2 and Carlos Henrique Tomich de Paula da Silva2
Department of Biological and Health Sciences, Federal University of Amapa, Macapa, Brazil; 2Faculty of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Ribeirão Preto, São Paulo, Brazil
1
To known inhibitors of PI3K-alpha, physicochemical and pharmacokinetic properties were calculated. From this, nine proposals
of potential new PI3K inhibitors were developed, some of them containing drug properties.
Graphical Abstracts
Current Bioactive Compounds 2014, Vol. 10, No. 3 ii
Current Bioactive Compounds 2014, Vol. 10, No. 3
158
In Silico Design of Phenylbenzamide Derivatives Coupled to Pyrimidines as Novel hnRNP K Ligands Against Cancer
Matheus G. de Oliveira1, Andreza S. Figueredo2, Gilberto L.B. de Aquino3, Andréia M. Leopoldino2,
Vinicius B. da Silva4,*, Carlton A. Taft5 and Carlos H.T. de Paula da Silva2
Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, Goiás, Brasil; 2Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Ribeirão Preto, São Paulo, Brasil; 3Unidade Universitária de Ciências Exatas e Tecnológicas, Universidade Estadual de Goiás, Anápolis, Goiás, Brasil; 4Departamento
de Biomedicina e Farmácia, Pontifícia Universidade Católica de Goiás, Goiânia, Goiás, Brasil; 5Centro Brasileiro
de Pesquisas Físicas, Rua Dr. Xavier Sigaud, 150, Urca, 22290-180, Rio de Janeiro, Brazil
1
In silico design of phenylbenzamide derivatives coupled to pyrimidine nucleosides results in hybrid molecules structurally capable of competing
with ssDNA for hnRNP K oncoprotein KH domains.
Current Bioactive Compounds 2014, Vol. 10, No. 3
163
A Computational Study of Euglobal G1 – An Acylphloroglucinol with Anticancer Activity
Liliana Mammino
Department of Chemistry, University of Venda, Thohoyandou 0950, South Africa
A computational study of euglobal 1 was carried out in vacuo and in three solvents to identify conformational preferences and
computable properties, which are analysed in detail and also compared with those of the non-active euglobal 2.
iii Current Bioactive Compounds 2014, Vol. 10, No. 3
Graphical Abstracts
Current Bioactive Compounds 2014, Vol. 10, No. 3
181
Toxic Metals in Herbal Medicines. A Review
Clinio Locatelli1,*, Dora Melucci1 and Marcello Locatelli2
1
2
Department of Chemistry “G. Ciamician”, University of Bologna, Via F. Selmi 2, I-40126 Bologna, Italy;
Department of Pharmacy, University “G. D’Annunzio” of Chieti-Pescara, Via dei Vestini 31, I-66100 Chieti, Italy
Current Bioactive Compounds 2014, Vol. 10, No. 3
189
Synthesis and Biological Evaluation of Some Novel 10H-Phenothiazines, their Sulfones and Nucleosides as Possible
Antimicrobial Agents
Naveen Gautama,*, Anjali Guleriab, Mukesh K. Sharmab, Sudesh K. Guptab, Arun Goyalb and D.C. Gautamb
Lal Bahadur Shastri Government P.G. College, Kotputli, Jaipur 303108, India; bDepartment of Chemistry, University of Rajasthan, Jaipur 302004, India
a
Br
R1
H
N
Br
NH2 O 2N
R2
30% H2O2
gl. acetic
acid
(i) CH3COONa/C2H5OH, reflux
(ii) Formylation, 90% HCOOH
(iii) KOH/C2H5OH, Acetone
Br
H
N
SH
X
R1
1
2a-d
NaOH, C2H5OH
H3C
S
R2
O
O
4a-d
R1
+
H3C
H3C
S
10 hrs.
stirred in
vacuuo,
150-155°C
R2
3a-d
BzO
BzO
O
O O C CH3
H3C
R2
S
N
Br
R1
O
6
OBz
OBz
BzO
5a-d
OBz
Graphical Abstracts
Current Bioactive Compounds 2014, Vol. 10, No. 3 iv
Current Bioactive Compounds 2014, Vol. 10, No. 3
196
Spectroscopic Characterization of a Pyridine Alkaloid from an Endophytic Strain of the Fusarium incarnatumequiseti Species Complex
Monica Scognamiglio*, Rosario Nicoletti, Severina Pacifico, Brigida D’Abrosca, and Antonio Fiorentino
1
Department of Environmental Biological and Pharmaceutical Sciences and Technologies, Second University of
Naples, I-81100, Caserta, Italy; 2Council for Research and Experimentation in Agriculture. Current address: Department of Agriculture, University of Naples ‘Federico II’, I-80055, Portici, Italy
Chemical investigation of the endophytic strain A1021B ascribed to the Fusarium incarnatum-equiseti species complex afforded a
novel pyridine alkaloid related to fusaric acid. Cytotoxic activity on six human tumor cell lines has been studied.
Current Bioactive Compounds 2014, Vol. 10, No. 3
Flavonoids and Antioxidant Activity of Different Plant Parts and Callus Culture of Cassia occidentalis L
Sharad Vats1,2,* and Raka Kamal1
1
Laboratory of Medicinal Plant Biotechnology, University of Rajasthan, Jaipur-300004, Rajasthan, India; 2Dept. of
Bioscience & Biotechnology, Banasthali University, P.O. Banasthali Vidyapith-304022, Rajasthan, India
201