In-Silico Validation of Prosopis ciniraria Therapeutic Peptides Against Fungal Cell Wall: Better Treatment Strategy for Fungal Diseases.

Prosopis cineraria commonly known as Druce are valuable herb that holds antibacterial role, antifungal properties. We identified different peptides from this plant by deploying CADD (Computer-aided-drug-designing) approaches, these peptide sequences are as follows seq1 (RHDEEEEKAKV),seq3(KSNSTVEISQNVQSVDSSKM),seq4(KQVAEMNKPAVGSKTSDANHDLKS),seq5(KTKSAGNDSIQSTKPVPSALTVDKA),seq6(RELEDSNIHHVAASVVLESKSSRT), and seq8(LYSKVELHPFGLHNLGNSCYANAVFSV), these peptides holds therapeutic properties as shows interaction with chitin, a major constituent of fungal cell wall. Molecular docking was conducted by using AutoDock-Vina tool and the results were found to be promising where all binding energies were found in the range of - 9.1 to - 7.5 kcal/mol, it indicates strong binding of peptide sequences with chitin molecule. Even the toxicity analysis supports the considered peptide sequences to hold therapeutic role against fungus with non-toxic effect on humans. These peptides were successfully predicted as important therapeutic agents of P. cinerariaseed that can initiate chitin breakdown, due to their possible strong interaction with fungal cell wall and it also suggests this medicinal plant holds the key for multiple fungal disease treatments. This study will open new research dimensions and integration of computational biology with microbial pathology that will assist scientific and medical community to develop rapid disease prevention strategies against fungal pathogenesis.

Actinomycetes isolates of arid zone of Indian Thar Desert and efficacy of their bioactive compounds against human pathogenic bacteria.

Twenty-six morphotypes of actinomycetes bacteria were isolated from the soils of arid zone of Indian Thar desert, Rajasthan. A significant and positive correlation was found between density of actinomycetes isolates and availability of nitrogen in sandy soil of arid zone suggesting the influence of soil nitrogen on occurrence and propagation of actinomycetes in this region. Molecular identification based on 16S rRNA gene sequencing revealed that the bacterial isolates belong to four actinomycetes genera, viz. Streptomyces (22 species), Nocardiopsis (two species), Saccharomonospora (one species) and Actinoalloteichus (one species). The preliminary screening of 26 isolates against five human pathogenic bacteria, viz. Escherichia coli, Vibrio cholera, Salmonella enterica typhimurium, Staphylococcus aureus and Enterococcus faecalis, showed that only four isolates, viz. Streptomyces sp. (ITD-27), S. enissocaesilis (ITD-29), S. Malachitospinus (ITD-35) and Streptomyces sp. (ITD-47), had antibacterial activity. The secondary screening of these four isolates revealed that the isolate S. malachitospinus (ITD-35) showed the maximum growth inhibition zone and inhibited the growth of all tested gram-positive and gram-negative pathogenic bacteria. Gas chromatography-mass spectrometry analysis of S. malachitospinus (ITD-35) cultural filtrate in n-butanol solvent identified three antibacterial compounds of medicinal significance, viz. 3-octanone, neopentyl isothiocyanate and 2-methyl butyl isothiocyanate.