Current Bioactive Compounds - Volume 10, Issue 3, 2014

This issue (Part II) is aimed for anyone who is interested or works with drug design research, with particular interest in Cancer. We attempt to convey something of the fascination of working in the field of heoretical and Computational Medicinal Chemistry, which overlaps knowledge of chemistry, computation, physics, biochemistry, biology and pharmacology, with emphasis on Cancer. Today, different targets are being Read More

Through a statistical analysis of electronic parameters obtained from DFT calculations we were able to predict the IC50 of ketonethiosemicarbazone derivatives. A quantitative study of the structure-activity with multiple linear regression was performed, using the electronic parameters: electron affinity, HOMO-LUMO energy gap, atomic charges of N, dipole moment and the lipophilicity of the comp Read More

Phosphoinositide 3-kinase (PI3K) is an enzyme involved in the signaling and control of essential cell functions with respect to receptor tyrosine kinase (RTK), for which they are activated. PI3K is involved in some types of cancers in humans, as has been observed in breast, hepatocellular, and colorectal, where, in this latter one, it was only the gene whose mutation was showed. When this gene mutation occurs, overstimula Read More

Cancer disease is characterized by genomic abnormalities and gene expression aberrations that leads to misregulated activity of apoptosis, angiogenesis and cell proliferation. Heterogeneous ribonucleoprotein K (hnRNP K) is a constitutive protein found in nucleus, cytoplasm and mitochondria of cells and interacts with molecules involved in gene expression and signal transduction pathways. It is believed that the o Read More

Euglobal G1 (E-G1) is an acylphloroglucinol exhibiting anticancer activity. The phloroglucinol moiety is a derivative of jensenone and forms a chroman skeleton fused to a terpene unit. A computational study of E-G1 was carried out in vacuo at the HF/6-31G(d,p), DFT/B3LYP/6-31+G(d,p) and MP2/HF/6-31G(d,p) levels, and in solution at the DFT/B3LYP/6-31+G(d,p) level, with the PCM model and considering three solvents – c Read More

Herbal medicines are more and more worldwide used. This fact certainly presents serious problems for the potential human health risks. This is due to the fact that the laws in force generally do not provide for strict quality controls of herbal medicines to certify the concentration of compounds and elements that may be hazardous for human health, and sometimes very severe or even lethal. Heavy metals have a decidedly subs Read More

Since the time of Ehrlich (1854-1915) the antimicrobial activity of synthetic, non-chemotherapeutic compounds like phenothiazines and methylene blue, has been known. This article reports synthesis of some new 10Hphenothiazines, their sulfones and nucleosides, which have shown antimicrobial activity to a good extent against some selected strains of fungi, Gram positive and Gram negative bacteria leading us to a Read More

Chemical investigation of the endophytic strain A1021B ascribed to the Fusarium incarnatum-equiseti species complex led to the isolation of a novel pyridine alkaloid related to fusaric acid. The structure was elucidated by 1D and 2D NMR experiments (1H, 13C, COSY, HSQC, CIGAR-HMBC, H2BC). The compound induced cytotoxic effects on six human cancer cell lines (SK-N-BE(2)-C, SH-SY5Y, A549, HepG2, HeLa, and MCF-7).

Callus culture of Cassia occidentalis L. was studied using nodal explants. Maximum callus induction was obtained on basal MS medium supplemented with 2, 4-D (5 mg/l) and Kinetin (0.02 mg/l). Sigmoid pattern of growth was obtained with highest growth index was 6th week and lowest at 2nd week of subculture. Analysis of plant parts revealed maximum content of flavonoids in leaves of C. occidentalis (1.95 mg/g Read More