Dengue fever, which is a disease caused by the dengue virus (DENV), major unsolved issue in many tropical and sub-tropical regions of world. The absence treatment that effectively prevent further viral propagation inside human's body resulted high number deaths globally each year. Thus, novel anti-dengue therapies are required for effective treatment. Human hexokinase II (HKII), first enzyme glycolytic pathway, an important drug target due to its significant impact on replication survival...

Literature has shown that oil palm leaves (OPL) can be transformed into nanocellulose (NC) by fungal lignocellulosic enzymes, particularly those produced the Trichoderma species. However, mechanism of β-glucosidase and xylanase selectivity to degrade lignin, hemicellulose cellulose in OPL for NC production remains relatively vague. The study aimed comprehend this aspect an silico approach molecular docking, dynamics (MD) simulation Molecular-mechanics Poisson-Boltzmann surface area (MM-PBSA)...

The 16S rRNA amplicon sequencing technique is a key aspect of studies microbial communities but does not provide direct evidence community's functional capabilities. This work aimed to assess the structure uncultured bacterial from two locations in Lake Tuz Turkey information on their roles lake ecosystem. most abundant phyla water were Firmicutes (84%) for sample site 1 (TG1), 70% 2 (TG2), Fusobacteria (9% TG1, 22% TG2) and Proteobacteria (6% 7% TG2). genera Romboutsia (45% 35% TG2),...

A variety of bacterial communities can be found in heavy metal leachate-contaminated soil. These bacteria might have molecular defenses that allow them to endure a high concentration. However, there aren't enough datasets on populations exploited for bioremediation, especially the biotreatment leachate contaminated with metals. This research examined diversity population soil from Jalan Lipis Sanitary Landfill Pahang, Malaysia. The samples were taken three (3) different locations. pH...

We previously reported on a mutant lipase KV1 (Mut-LipKV1) from Acinetobacter haemolyticus which optimal pH was raised 8.0 to 11.0 after triple substitutions of surface aspartic acid (Asp) with lysine (Lys). Herein, this study further examined the Mut-LipKV1 by molecular docking, dynamics (MD) simulations and mechanics-Poisson Boltzmann area (MM-PBSA) calculations explore structural requirements that participated in effective binding tributyrin its catalytic triad (Ser165, Asp259 His289)...

Aptamer has been long studied as a substitute of antibodies for many purposes. However, due to the exceeded length aptamers obtained in vitro , difficulties arise its manipulation during molecular conjugation on matrix surfaces. Current study focuses computational improvement screening hepatitis B surface antigen (HBsAg) through optimization sequences from SELEX. Three original with affinity against HBsAg were truncated into five short hairpin structured and their was thoroughly by docking,...

Many environmental pollutions are caused by the abundance of xenobiotic compounds in nature. For instance, halogenated released from chemical industries were proven to be toxic and recalcitrant environment. However, haloalkanoic acid dehalogenases can catalyse removal halides organic haloacids thus have gained interest for bioremediation synthesis industrial chemicals. This study presents first structural model key residues non-stereospecific dehalogenase, DehE, Rhizobium sp. RC1. The enzyme...

Lactic acid bacteria (LAB) confer many advantages to humans and animals they provide natural protection against bacterial pathogens such as Salmonella typhymurium Eschericia coli.LAB strains have been isolated from various animal sources but this research LAB were quail's (Coturnix coturnix Japonica) intestine.About 12 the intestine; out of these, 5 samples (S1-1B, S2-1A, S2-1B, S2-2B S3-1A) produced lactose on test.All these appeared be non-motile coccus with gram positive morphology,...

Increased scientific interest has led to the rise in biotechnological uses of halophilic and halotolerant microbes for hypersaline wastewater bioremediation. Hence, this study performed molecular docking, dynamic (MD) simulations, validation by Molecular Mechanic Poisson-Boltzmann Surface Area (MM-PBSA) calculations on DehH2 from Bacillus thuringiensis H2. We aimed identify interactions with substrates haloacids, haloacetates, chlorpyrifos under extreme salinity (35% NaCl). MD simulations...

Abstract This study explored the potential of Acacia mangium to remediate arsenic present in mine wastes and determine remediation mechanism this plant for removing arsenic. A preliminary test using soil spiked with various concentrations showed that was able survive on arsenic‐contaminated up 500 mg kg −1 Ex situ phytoremediation studies containing approximately 790 also no toxicity effect throughout 5 months treatment. Bioconcentration translocation factors indicate utilizes...

Being commonly found at crime scenes, fingerprints are crucial for human identification, attributable to their uniqueness, persistence and systematic classification of ridge patterns. In addition latent being invisible the naked eye, escalating trends disposing forensic evidence bearing such prints in watery bodies would further complicate criminal investigations. Taking into account toxicity small particle reagent (SPR) used visualising on wet non-porous objects, a greener alternative using...

The particular disturbing elevated presence of xenobiotic compounds viz. herbicides, insecticides, fungicides and solvents in the environment, is result their widening use by industries ...

The non-stereospecific α-haloalkanoic acid dehalogenase E (DehE) degrades many halogenated compounds but is ineffective against β-halogenated such as 3-chloropropionic (3CP). Using molecular dynamics (MD) simulations and site-directed mutagenesis we show here that introducing the mutation S188V into DehE improves substrate specificity towards 3CP. MD showed residues W34, F37, S188 of were crucial for binding. strong binding ability D-2-chloropropionic (D-2CP) L-2-chloropropionic (L-2CP) less...

Synthetic haloalkanoic acid (HA) is one of the synthetics compounds that can be found as active ingredients in herbicides.These are known to pollute our agriculture land due their toxicity, thus may cause serious environmental and health problems.Biological process such microbial dehalogenation degrades harmful prevents migration into groundwater source.For instance, Rhizobial Dehalogenase E (DehE) could catalyze these HA convert them hydroxylated which less environment.In previous study,...

Alkaline-stable lipases are highly valuable biocatalysts that catalyze reactions under basic conditions. Herein, computational predictions of lipase from Acinetobacter haemolyticus and its mutant, Mut-LipKV1 was performed to identify functionally relevant mutations enhance pH performance increasing basicity. constructed by in silico site directed mutagenesis several outer loop acidic residues, aspartic acid (Asp) into ones, lysine (Lys) at positions 51, 122 247, followed simulation extreme...

Honey is a sustainable nutritious substance which has been incorporated into the human diet since ancient times for its health and remedial benefits. Stingless bee honey or kelulut (KH) well-known in Malaysia received high demand market due to distinctive unique flavour. Its composition, colour, flavour are majorly affected by geographical location, floral source, climate, as well species. This data article presents nontargeted metabolite profiling of extracts stingless Kelulut Heterotrigona...