This study presents the design and analysis of four novel small molecules with a donor-acceptor-donor (D-A-D) architecture, incorporating naphthalene diimide (NDI) as the central electron acceptor core, flanked by different electron-donating units: 4H-dithieno [3,2-b:2 ',3 '-d]pyrrole (DTP), isomeric 7H-dithieno-[2,3-b:3 ',2 '-d]pyrrole (iso-DTP), phenothiazine, and diphenylamine. The optical, electronic, and photovoltaic properties of these structures were evaluated using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) at the WB97XD/6-311+G (d,p) theoretical level. The selected calculation method showed excellent agreement with experimental data for the synthesized NDI-C3 molecule, validating the computational approach. Our findings highlight the significant role of electron-donating groups in enhancing photovoltaic properties, including increased open-circuit voltage, improved charge density distribution, and enhanced parameters such as fill factor, radiation lifetime, and light harvesting efficiency compared to the NDI-C3 structure. These promising results underscore the potential of our designed molecules for efficient application in organic solar cells and their significant contribution to the advancement of photovoltaic technology.

Background: An environmentally sustainable method for synthesizing aza-crown ether functionalized fibrous silica nanospheres was developed using sorghum waste as a biogenic silica source. The goal was to create a novel adsorbent for thallium [Tl(I)] removal from water. Methods: A direct synthesis approach was used to anchor aza-crown ether onto the silica fibers. The material was characterized for its fibrous spherical morphology and surface area (242 m2 g-1), and the successful grafting of the functional groups was confirmed. Adsorption studies were conducted to optimize parameters for Tl(I) removal, and kinetic, isothermal, and thermodynamic analyses were performed. Findings: The material's maximum adsorption capacity, based on the Langmuir model at 298 K, was 13.1 mg g -1 under optimal conditions (pH 9.0, 25 mL solution, 60 min contact time, 0.2 g L -1 adsorbent, 185 rpm stirring). Kinetic analysis showed a closer fit to the pseudo-first-order model, with three-stage diffusion. Thallium adsorption was endothermic (Delta HoAds.=38.72 kJ mol-1), spontaneous (Delta GoAds.ranging from -46.81 to -49.68 kJ mol-1), accompanied by an increase in surface randomness (Delta SoAds.=0.287 kJ mol-1 K-1).

Velpatasvir and simeprevir are two direct acting antivirals that are often used in combination with sofosbuvir to treat HCV infections. Herein, an environmentally benign spectrofluorimetric method was developed for simultaneous quantification of velpatasvir and simeprevir in pharmaceutical and plasma samples. To address the issue of overlapping fluorescence spectra presented by these compounds, this method integrates synchronous fluorescence and second-derivative spectroscopy. By employing the second derivative of the synchronous fluorescence spectra measured at Delta lambda of 140 nm, the accurate determination of velpatasvir at 400 nm and simeprevir at 426 nm was achieved without any interference. Different experimental parameters affecting the synchronous fluorescence of the studied drugs were carefully optimized. The plots of second-derivative amplitudes against concentrations showed linearity in the range of 5-400 ng/mL for velpatasvir and 80-800 ng/mL for simeprevir. The method was very sensitive, with lower detection limits of 1.11 ng/mL and 25.40 ng/mL, and quantification limits of 3.36 ng/mL and 76.96 ng/mL for velpatasvir and simeprevir, respectively. The method was effectively used to determine velpatasvir and simeprevir simultaneously in their pure forms, pharmaceutical dosage forms, and human plasma with no interference. The suggested technique was additionally evaluated for its ecofriendliness through the utilization of the Analytical GREEnness (AGREE) and Green Analytical Procedure Index (GAPI) evaluation metrics, revealing that the method is indeed sustainable.

In the original publication, there was a mistake in Figure 4 as published [...]

We investigated the adsorption of ifosfamide (IFS) on the outer surface of zigzag (10, 0) carbon nanotubes (CNT), boron nitride nanotubes (BNNT), and silicon carbon nanotubes (SiCNT), using density functional theory (DFT) calculations at the PBE-D3 level in a water solvent phase. Based on zero-point corrected binding energies (Ebin), bin ), IFS exhibits chemisorption through its O-head and Cl-head on CNT (-1.05 eV) compared to BNNT (-0.93 eV), characterized by covalent interaction. In contrast, IFS undergoes physisorption via its O-head on SiCNT with binding energy of -0.68 eV as the most stable model this interaction is driven by electrostatic forces. The formation of complexes between the drug and nanotubes is influenced by charge transfer dynamics. Our thermodynamic analysis demonstrates the Gibbs free energy (Delta G) Delta G) and enthalpy energy (Delta H) Delta H) for all models are exothermic and spontaneous. The observed decrease in binding energy for BNNT and CNT correlates with changes in their energy gap, dipole moment, and charge transfer upon IFS adsorption. Notably, SiCNT exhibits a different response with a significant energy gap change leading to an increase in dipole moment and charge transfer. These findings suggest that these nanotubes demonstrate promising sensitivity to the presence of IFS and could be explored as potential drug delivery systems for this drug.

In this research, the generation of nanobubbles was carried out using a structure of vortex pump based on the relative blockage of flow (without the use of venturi and orifices, which consume a lot of energy to generate nanobubbles), which has made this process economical and commercial. In addition, the use of advanced synthesized nanoreactors with the Yolk@Shell structure, which forms a photoanode by coating the anode electrode and can operate in the visible light range, has highlighted this research work. An in-depth study of the synergistic effect of advanced photoelectrofenton oxidation methods in addition to the hydrodynamic reactor has shown that the intelligent selection of these three types of advanced oxidation methods together has improved the performance of each other and solved their negative aspects, including the use of hydrogen peroxide, divalent iron ion, and the removal of sludge generated by the electrofenton method. The use of hollow cylindrical electrodes allowed adequate loading of the advanced synthesized nanoreactors with Yolk@Shell structure. The investigation of the effects of micro (advanced synthesized nanoreactors with Yolk@Shell structure) and macro (vortex structure based on relative blockage of the flow) processes on the degradation of pharmaceutical pollutants, both separately and in combination, is a focus of this work. At the end, the energy consumption for each of these processes and this system in general was studied, which showed that the operating cost of this combined system according to the energy consumption requirements for the almost complete removal of the pollutant naproxen and the 90% reduction of its chemical oxygen demand is 6530 Rials/L.h (or 0.15525 USD/L.h), which presents this system as an economical method with industrialization capability. The degradability index (DI) of the introduced system under optimal operating conditions was 3.38, which shows that the development of the system based on the combination of advanced oxidation methods is a suitable method used in this research work due to its environmental friendliness, absence of side effluent production, efficiency and high degradation performance, ability to recover the nanocatalyst and consequently economic efficiency.

This research is an analysis of multiple regression models developed for predicting ketoprofen solubility in supercritical carbon dioxide under different levels of T(K) and P(bar) as input features. Solubility of the drug was correlated to pressure and temperature as major operational variables. Selected models for this study are Piecewise Polynomial Regression (PPR), Kernel Ridge Regression (KRR), and Tweedie Regression (TDR). In order to improve the performance of the models, hyperparameter tuning is executed utilizing the Water Cycle Algorithm (WCA). Among, the PPR model obtained the best performance, with an R2 score of 0.97111, alongside an MSE of 1.6867E-09 and an MAE of 3.01040E-05. Following closely, the KRR model demonstrated a good performance with an R2 score of 0.95044, an MSE of 2.5499E-09, and an MAE of 3.49707E-05. In contrast, the TDR model produces a lower R2 score of 0.84413 together with an MSE of 7.4249E-09 and an MAE of 5.69159E-05.

IntroductionThe study aimed to systematically enhance the fabrication process of flurbiprofen-loaded bilosomes (FSB) using Quality by Design (QbD) principles and Design of Experiments (DOE). The objective was to develop an optimized formulation with improved entrapment efficiency and targeted drug delivery capabilities.MethodsThe optimization process involved applying QbD principles and DOE to achieve the desired formulation characteristics. Superparamagnetic iron oxide nanoparticles (SPIONs) were incorporated to impart magnetic responsiveness. The size, entrapment efficiency, morphology, and in vitro release patterns of the FSB formulation were evaluated. Additionally, an in situ forming hydrogel incorporating FSB was developed, with its gelation time and drug release kinetics assessed. In vivo studies were conducted on osteoarthritic rats to evaluate the efficacy of the FSB-loaded hydrogel.ResultsThe optimized FSB formulation yielded particles with a size of 453.60 nm and an entrapment efficiency of 91.57%. The incorporation of SPIONs enhanced magnetic responsiveness. Morphological evaluations and in vitro release studies confirmed the structural integrity and sustained release characteristics of the FSB formulation. The in situ forming hydrogel exhibited a rapid gelation time of approximately 40 ± 1.8 s and controlled drug release kinetics. In vivo studies demonstrated a 27.83% reduction in joint inflammation and an 85% improvement in locomotor activity in osteoarthritic rats treated with FSB-loaded hydrogel.DiscussionThis comprehensive investigation highlights the potential of FSB as a promising targeted drug delivery system for the effective management of osteoarthritis. The use of QbD and DOE in the formulation process, along with the integration of SPIONs, resulted in an optimized FSB formulation with enhanced entrapment efficiency and targeted delivery capabilities. The in situ forming hydrogel further supported the formulation’s applicability for injectable applications, providing rapid gelation and sustained drug release. The in vivo results corroborate the formulation’s efficacy, underscoring its potential for improving the treatment of osteoarthritis.

We examined the adsorption of thiotepa (TTP) on the outer surface of B12N12, Mg12O12, and Si12C12 fullerene-like cages using density functional theory (DFT) calculations. The computations were carried out at the Perdew-Burke-Ernzerhof level with the D3 dispersion correction (PBE-D3) in a water solvent. The adsorption mechanism of TTP through N-head and S-head on the external surface of Si12C12 involves a covalent interaction (binding energy similar to -1.31 eV) with the carrier surface. In contrast, the adsorption of the TTP molecule through N-head and S-head on the outer surfaces of B12N12 (binding energy similar to -0.75 eV) and Mg12O12 (binding energy similar to -0.62 eV) fullerene-like cages is driven by electrostatic interactions. Therefore, due to their low values of recovery time, both B12N12 and Mg12O12 fullerene-like cages can serve as carriers for TTP in the treatment of cancer. Thermodynamic parameters (Gibbs free energy and enthalpy energy) demonstrate that these interactions are exothermic and spontaneous. The results further reveal the significant disparity in the calculated HOMO and LUMO energies at the computational level. The formation of intricate bonds between the drug and the fullerene-like cages is attributed to the charge transfer dynamics that occur during their interactions. Through computational analysis and examination of the total density of state (TDOS) plots, it is evident that B12N12 and Si12C12 fullerene-like cages exhibit a high degree of sensitivity to the TTP drug. The adsorption process can increase the electrical conductivity of B12N12 and Si12C12, while having minimal effect on Mg12O12. This suggests that B12N12 could potentially serve as a suitable biosensor for detecting TTP.

This research paper presents a comprehensive thermodynamic and heat transfer study on predicting the ternary solubility of Nystatin in SC-CO2-Ethanol (supercritical CO2 and ethanol). The employed process is a thermal-based green processing for preparation of solid nanoparticles. The data collection, consisting of temperature and pressure as input features and ternary solubility as the target variable, was used to train and evaluate four different machine learning algorithms: Random Forest (RF), Extra Trees (ET), NU-SVR, and EPSILON-SVR. The hyper-parameter tuning process employed the Bat Optimization Algorithm (BA), a nature-inspired optimization technique to fine-tune the models and enhance their predictive capabilities. The ET model had a notable R2 score of 0.98526, RMSE of 2.48774E-02, and MAE of 2.13417E-02. The RF model also yielded strong performance, achieving an R2 score of 0.98436, RMSE of 2.55130E-02, and MAE of 2.06314E-02. However, the NU-SVR model exhibited superior performance compared to other models, as evidenced by its remarkable R2 score of 0.99943, thereby showcasing its exceptional precision. The RMSE and MAE for NU-SVR were 4.92372E-03 and 3.94943E-03, respectively, underscoring its precision in predicting ternary solubility. The EPSILON-SVR model, while still respectable, obtained a score of 0.93574 in terms of R2, RMSE of 4.37434E-02, and MAE of 3.79800E-02.

Using first-principles density functional theory (DFT), this study examines the improved chemical catalytic performance and biochemical sensing capabilities of iron (Fe) and gold (Au) nanoclusters decorated flawless gamma-graphyne (GPN) as nanocarriers for the Ertapenem (EPM) antibiotic drug, in contrast to pristine gamma-graphyne. The evaluation of binding energy analysis, it has been noted that perfect GPN (-0.96 eV), Au-decorated GPN (-1.852 eV), as well as Fe-decorated GPN (-1.520 eV), can be suitable candidates for drug delivery, as the binding energy falls in the physisorption to chemisorption range. There is a red shift in the ultraviolet-visible (UV-Vis) spectrum when EPM is adsorbed on the Fe- and Au-decorated GPN surfaces in comparison to the pristine substrates. Based on thermodynamic parameters, the values of Gibbs free energy changes (Delta G) and enthalpy change (Delta H) illustrate a strong interaction between EPM and the Au-decorated GPN (F: -1.130 and - 2.288 eV) in contrast to EPM with the Fe-decorated GPN carrier (I: -1.190 and - 2.210 eV), indicating that the interaction is stable and spontaneous. The Fe-decorated GPN improves the adsorption of EPM with a small binding energy, facilitated by a greater charge transfer from the substrate as an electron donor to the drug. This phenomenon results in a significant rise in dipole moment and a change in the energy gap. The results indicate that Fe-decorated GPN surface can serve as carriers for delivering the EPM drug.

The purpose of this study was to assess the parameters of doxorubicin (DOX) loaded lipid polymer hybrid nanoparticles (LPHNs) formulation development, and then the bioavailability of DOX were determined in the rabbit model, in order to evaluate the intrinsic outcome of dosage form improvement after the oral administration. LPHNs were prepared by combine approach, using both magnetic stirring and probe sonication followed by its characterization in terms of size-distribution (Zeta Size), entrapment efficiency (EE), loading capacity, and the kinetics of DOX. LPHNPs were further characterized by using scanning electron microscopy (SEM), powder X-Ray diffractometry (P-XRD), Fourier transform infrared spectroscopy (FT-IR), differential scanning calorimetry (DSC), in vitro and in vivo studies. The molecular modeling was determined through the density functional theory (DFT) simulations and interactions. DOX loaded and unloaded LPHNs were administered orally to the rabbits for bioavailability and pharmacokinetic parameters determinations. The plasma concentration of DOX was determined through high performance liquid chromatography (HPLC). The average size of DOX-loaded LPHNs was 121.90 ± 3.0 nm. The drug loading of DOX was 0.391% ± 0.01 of aqueous dispersion, where its encapsulation efficiency was 95.5% ± 1.39. After oral administration of the DOX-LPHNs, the area under the plasma drug concentration-time curve (AUC) improved about 2-folds comparatively ( p < 0.05). DFT simulations were used to understand the interactions of polymers with different sites of DOX molecule. The larger negative binding energies (−9.33 to −18.53 kcal/mol) of the different complexes evince that the polymers have stronger affinity to bind with the DOX molecule while the negative values shows that the process is spontaneous, and the synthesis of DOX-LPHNs is energetically favorable. It was concluded that DOX-LPHNs provides a promising new formulation that can enhance the oral bioavailability, which have optimized compatibilities and improve the pharmacokinetic of DOX after oral administration.

The adsorption behaviors of N2O on the geometric and the electronic characteristics of C60 and Al@C59 fullerenes have been studied through density functional theory (DFT). In this research, the adsorption of N2O on the structural and electronic properties of pristine and Al@C59 fullerenes has been evaluated to examine its feasibility as an N2O absorbent nanomaterial as a novel idea. Electronic properties of the adsorption complexes such as binding energies, dipole moments and global indices were determined. Interaction between N2O and C60 and Al@C59 fullerenes illustrate binding energies in the range of 0.2- 41.2 kJ/mol. Al@C59 fullerene has been considered for the adsorption of N2O due to the effect of that on the of sensitivity of N2O molecule that is improved significantly. Density of state (DOS) analysis indi-cates that there is a strong interaction between adsorbate and adsorbent as evidenced by the occurrence of orbital hybridization between adsorbate and adsorbent during adsorption. Herein, the low binding energy and large electronic charge transfer between Al@C59 fullerene and N2O show the potential of Al@C59 as a suitable sensor for N2O gas.(c) 2022 Elsevier B.V. All rights reserved.

The current study focused on the fabrication of a well-designed, biocompatible, physically stable, non-irritating and highly porous gelatin scaffold loaded with controlled-release triamcinolone acetonide (TA) and econazole nitrate (EN) co-loaded into mesoporous silica nanoparticles (EN-TA-loaded MSNs) to provide a better long-lasting antifungal therapeutic effect with minimal unfavorable effects. Optimization of the MSNs-loaded scaffold was performed using central composite rotatable design (CCRD), where the effect of gelatin concentration (X1), plasticizer (X2) and freezing time (X3) on the entrapment of EN (Y1) and TA (Y2) and on the release of EN (Y3) and TA (Y4) from the scaffold were studied. The significant compatibility of all formulation ingredients with both drugs was established from XRD, DSC and FT-IR spectra analyses while SEM and zeta studies represented a very precise unvarying distribution of the loaded MSNs in the porous structure of the scaffold. The stability of the optimized scaffold was confirmed from zeta potential analysis (-16.20 mV), and it exhibited higher entrapment efficiency (94%) and the slower (34%) release of both drugs. During in vitro and in vivo antifungal studies against Candida albicans, the MSNs-loaded scaffold was comparatively superior in the eradication of fungal infections as a greater zone of inhibition was observed for the optimized scaffold (16.91 mm) as compared to the pure drugs suspension (14.10 mm). Similarly, the MSNs-loaded scaffold showed a decreased cytotoxicity because the cell survival rate in the scaffold presence was 89% while the cell survival rate was 85% in the case of the pure drugs, and the MSNs-loaded scaffold did not indicate any grade of erythema on the skin in comparison to the pure medicinal agents. Conclusively, the scaffold-loaded nanoparticles containing the combined therapy appear to possess a strong prospective for enhancing patients' adherence and therapy tolerance by yielding improved synergistic antifungal efficacy at a low dose with abridged toxicity and augmented wound-healing impact.

Similar to radioimmunotherapeutics, nanomedicine-based radiotherapeutics are hampered by dose-limiting radiotoxicities due to long blood circulation times. To address this limitation, we explored the pretargeting approach using the inverse electron-demand Diels-Alder (IEDDA) reaction between trans-cyclooctene (TCO) and tetrazine (TZ). Specifically, we synthesized low (22.7 kDa)- and high (93.7-108.7 kDa)-molecular-weight N-(2-hydroxypropyl)methacrylamide (HPMA) copolymers with TCO-incorporated linkers of various lengths in parallel with small-molecule Lu-177-labeled TZ chaser agents. The IEDDA reaction kinetics between the TCO-incorporated copolymer and TZ chaser agents was found to be initially rapid but quickly decreased as copolymer molecular weight increased. The various linkers employed in this study were found to significantly impact IEEDA kinetics but did not yield a clear trend between length and kinetics. The pretargeted system was examined in an OVCAR-3 ovarian cancer mouse model. The tumor uptake of the TCO-incorporated copolymers by 76 h ranged from 10 to 14.1%ID/g, but the elevated residual blood retention of the high-molecular-weight copolymers led to undesirable IEDDA reaction and retention in the blood compartment. The high off-target blood retention resulted in modest tumor uptake and poor tumor-to-nontarget tissue ratios at 4 h postadministration of the chaser agent. A masking agent (DP-TZ) that reacts with and inactivates TCO moieties in the blood compartment was found to substantially lower the undesirable retention of the Lu-177-labeled TZ chaser agent in the blood, leading to significant improvements in tumor-to-nontarget ratios.

The presence of heavy metals in wastewater, such as Ni, Pb, Cd, V, Cr, and Cu, is a serious environmental problem. This kind of inorganic pollutant is not biodegradable for several years, and its harmful effect is cumulative. Recently, semiconductor nanomaterials based on metal oxides have gained interest due to their efficiency in the removal of heavy metals from contaminated water, by inducing photocatalytic ion reduction when they absorb light of the appropriate wavelength. The most commonly applied semiconductor oxides for these purposes are titanium oxide (TiO2), zinc oxide (ZnO), and binary nanomaterials composed of both types of oxides. The main purpose of this work is to critically analyse the existent literature concerning this topic focusing specially in the most important factors affecting the adsorption or photocatalytic capacities of this type of nanomaterials. In particular, photocatalytic activity is altered by various factors, such as proportion of polymorphs, synthesis method, surface area, concentration of defects and particle size, among others. After a survey of the actual literature, it was found that, although these metal oxides have low absorption capacity for visible light, it is possible to obtain an acceptable heavy metal reduction performance by sensitization with dyes, doping with metallic or nonmetallic atoms, introduction of defects, or the coupling of two or more semiconductors.

A highly efficient in silico pharmacokinetics was studied for some newly synthesized 1, 5- benzothiazepine derivatives. A total of fourteen title moieties were prepared by the condensation of substituted chalcones and 2- aminothiophenol that led to ring expansion in the presence of CuO nanocatalytic framework. The reported synthetic route is advantageous due to shorter reaction time and enhanced yield. The drug-target binding analysis revealed the potential therapeutic targets against 1,5- benzothiazepine derivatives using auto in silico consensus inverse docking (ACID) server. Among the seven selected 1,5- benzothiazepine derivatives, consensus inverse docking (CID) against PDB-binding database identified potential therapeutic targets using structure-based screening. The comparative analysis predicted 4-hydroxyphenylpyruvate dioxygenase (HPPD) (Uniprot ID: P32754), involved in the regulation of blood tyrosine levels by catalyzing the reaction of HPPD to homogentisic acid in tyrosine catabolism pathway. Dimethylglycine dehydrogenase (DMGDH) (Uniprot ID: Q9AGP8), a flavin adenine dinucleotide (FAD)‐ and tetrahydrofolate (THF)‐dependent, mitochondrial matrix enzyme that degrades choline and transfers electrons to the respiratory chain, one‐carbon metabolism, and folate receptor beta (Uniprot ID: P14207), which is a glycosylphosphatidylinositol-linked protein capturing ligands from the extracellular matrix and passages them inside the cell through endosomal pathway and recognized as an emerging biomarker for cancer and chronic inflammatory diseases, as potential targets for the selected derivatives. These findings warrant for in vitro cell-based experimental validation of the currently identified actives.

Objectives: Non melanoma skin cancers are common neoplasms worldwide. In India, squamous cell carcinoma (SCC), is the most prevalent skin disorder and its incidence rises quickly with cumulative exposure to sun. Numerous techniques are available for SCC but reversion and metastasis are common concern that needs effective and safe strategies for its control. With this in view, the study was planned to investigate the activity of Bakuchiol (Bak), traditionally used in various countries for curing skin ailments but its mechanism of action is unexplored. In our study, we explored anti-proliferative, proapoptotic and anti-inflammatory potential of Bak toward human squamous carcinoma (A431) cell line.Methods: The pure compound Bak was isolated from the plant Psoralea corylifolia and characterized using NMR, HRMS and FTIR. To explore their bioefficacy, different in vitro assays were performed against A431 cell line. To have molecular insights, RT-qPCR investigation was done to analyzed the expression level of inflammatory markers (TLR 9, IFN b, IL 23, JAK 3 and STAT 3).Results: The results showed the growth inhibitory effect on A431 cells after Bak treatment in dose dependent way. To understand mode of cell death, cells were initially analyzed under phase-contrast, fluorescence and scanning electron microscope that showed characteristics of apoptosis. Furthermore, cell cycle studies with a flow cytometer were carried out which showed increased level of ROS, reduced MMP and cells arrested at G0/G1 phase in Bak treated cells further strengthening the induction of apoptosis. Moreover, RT-qPCR analysis indicated the downregulation of inflammatory markers in Bak-treated A431 cells that further confirmed its therapeutic role. The molecular docking study also confirmed that Bak has perfect scaffold that can complete the pharmacophoric need for JAK3 kinase inhibition.Conclusion: A critical analysis of results points towards the role of Bak in ameliorating inflammatory markers along with apoptosis induction in A431 cells by regulating the expression level of variable markers.& COPY; 2023 The Authors. Published by Elsevier B.V. on behalf of King Saud University. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

The pollution due to dyes from textile sector is one of the major issues faced worldwide. This study was focused on the removal of the reactive dye, Drimaren Turquoise CL-B using Schizophyllum commune, a white rot fungus (WRF) keeping in mind the current environmental conditions. Different parameters like pH, sources of carbon & nitrogen, temperature, concentration of dye and C/N ratio were used to investigate their effect on the process. Maximum dye removal of 95.45% was obtained at pH 4.5, temperature 35°C, inoculum size 3 mL, veratryl alcohol (mediator), glucose (carbon source) and ammonium nitrate (nitrogen source). The enzyme activity was determined by employing enzyme assay. Laccase and Lignin peroxidase (LiP) activity was low while Manganese peroxidase (MnP) activity was highest. Maximum bio-sorption was achieved at pH 1 and 313 K. The pseudo-2nd-order kinetic model & Freundlich isotherm was best suited for the process of removal of dye. From these data, it is concluded that white rot fungus could possibly be the excellent biomaterial for elimination of synthetic dyes from wastewater.