Target identification and drug design for human pathogen chlamydophila pneumoniae -in silico analysis

Whole genome sequence of the human pathogen Chlamydophila pneumoniae and four other strains of same species were analyzed to identify drug targets. Total number 4388 protein coding genes were studied from four strains; in which 3948 genes were having more than 100 amino acids in their coding sequence were selected; we found 147 genes were identified as non-human homologs and conserved proteins among four strains. These non-human homologs genes and their encoding protein were categorized on the basis of the pathways involved in the basic survival mechanisms of the bacterium. Further, MSA of these genes showed eight different types of proteins as a novel drug target to design a drug. The modeled Holliday junction DNA helicase RuvB protein has more appropriate active sites among all other target proteins. Though all chosen drugs bind to Holliday junction DNA helicase RuvB protein, the binding site on the target protein with the minimum binding energy was selected. By using the active site prediction tools, under the optimized conditions we designed a set of antibiotics. Docking was done with the Autodock 4.0 with the different conformations of each ligand. This is the better drug that binds to the active site of target protein and inhibits their activities, which will effects one of the most essential pathways involved in DNA replication, recombination, modification and repair. Therefore, this in silico analysis provides rapid and potential approach for identification of drug target and designing of dru

Oral Crohn′s disease without intestinal manifestations

Crohn′s disease is a granulomatous inflammatory bowel disease and was described in 1932 as a chronic granulomatous disorder of the terminal ileum and is now considered a distinct member of the inflammatory bowel disease family. It may affect any part of the gastrointestinal tract. Oral Crohn′s disease has been reported frequently in the last three decades with or without intestinal manifestations. In the latter case, it is considered as one of the orofacial granulomatosis. There has been much doubt whether intestinal manifestations of Crohn′s disease will eventually develop in the orofacial granulomatosis. We present a female patient aged 22 years with prominent clinical findings such as persistent swelling of lower and upper lip with fissuring and angular cheilitis, granulomatous gingival enlargement, and cobblestone or corrugated appearance of labial mucosa, which are suggestive of Crohn′s disease, but with no evidence of other gastrointestinal involvement. The patient underwent surgical treatment with external gingivectomy procedure. A 6-month follow-up showed minimal recurrence

Screening of Gene Based Markers with 23 Genotypes in Tomato (Solanum lycopersicum L)

The investigation was conducted at SKL Telangana State Horticultural University, Rajendranagar in  Kharif, 2018 using 23 tomato genotypes. Screening with Ty-1 (P6-6) marker, only one genotype i.e. AVTO-1219 showed resistant band. Screening with Ty-2 marker, only 2 genotypes viz., AVTO-1219 and AVTO-9804 showed resistant bands. Screening with Ty-1 (SSR 47) marker, 3 genotypes i.e. AVTO-1219, AVTO-9803 and AVTO-9804 showed resistant bands. Using Fw-Z 1063 marker, 10 genotypes viz., EC-615055, EC-620428, AVTO-1219, EC-620378, EC-620389, EC-620394, EC-620422, EC-631369, EC-620503 and AVTO-9803 showed resistant bands. At molecular level, these ten genotypes showed resistant bands and these genotypes contain I-2 genes

Montmorillonite KSF/SiO as novel and recyclable solid acids for the synthesis of β-aminohalides and β-azidoaminesMontmorillonite KSF/SiO<SUB>2</SUB> as novel and recyclable solid acids for the synthesis of β-aminohalides and β-azidoamines

Activated aziridines undergo ring-opening smoothly with various nucleophiles such as lithium iodide, lithium bromide and sodium azide on the surface of montmorillonite KSF or SiO2 under mild conditions to afford the corresponding β-aminohalides and β-azidoamines, respectively, in high yields with high regioselectivity. The solid acids can be easily recovered and reused in subsequent reactions with gradual decrease in activity

Montmorillonite clay: a novel reagent for the chemoselective hydrolysis of t-butyl esters

A mild and highly selective hydrolysis of t-butyl esters has been achieved in high yields using montmorillonite KSF in refluxing acetonitrile. The method is compatible with a variety of protecting and functional groups such as BOC, Cbz, propargyl, allyl, benzyl, t-butyl ethers, allyl, methyl and benzyl esters present in the molecule

Acylative cleavage of aziridines with acid anhydrides catalyzed by scandium triflate

Aziridines smoothly react with acid anhydrides in the presence of a catalytic amount of scandium triflate under mild reaction conditions to afford the corresponding β-aminoacetates, benzoates and propionates in high yields with high regioselectivity