Antimicrobial therapeutic protein extraction from fruit waste and recent trends in their utilization against infections.

Fruits are a very good source of various nutrients that can boost overall human health. In these days, the recovery of therapeutic compounds from different fruit wastes is trending in research, which might not only minimize the waste problem but also encounter a higher demand for various enzymes that could have antimicrobial properties against infectious diseases. The goal of this review is to focus on the recovery of therapeutic enzymes from fruit wastes and its present-day tendency for utilization. Here we discussed different parts of fruit waste, such as pulp, pomace, seed, kernel, peel, etc., that produce therapeutic enzymes like amylase, cellulose, lipase, laccase, pectinase, etc. These bioactive enzymes are present in different parts of fruit and could be used as therapeutics against various infectious diseases. This article provides a thorough knowledge compilation of therapeutic enzyme isolation from fruit waste on a single platform, distinctly informative, and significant review work on the topic that is envisioned to encourage further research ideas in these areas that are still under-explored. This paper explains the various aspects of enzyme isolation from fruit and vegetable waste and their biotherapeutic potential that could provide new insights into the development of biotherapeutics and attract the attention of researchers to enhance translational research magnitude further.

Molecular drilling to combat salmonella typhi biofilm using L-Asparaginase via multiple targeting process.

OBJECTIVES: Salmonella Typhibiofilm condition is showing as a major public health problem due to the development of antibiotic resistance and less available druggable target proteins. Therefore, we aimed to identify some more druggable targets of S. Typhibiofilm using computational drilling at the genome/proteome level so that the target shortage problem could be overcome and more antibiofilm agents could be designed in the future against the disease. METHODS: We performed protein-protein docking and interaction analysis between the homological identified target proteins of S.Typhi biofilm and a therapeutic protein L-Asparaginase. RESULTS: We have identified some druggable targets CsgD, BcsA, OmpR, CsgG, CsgE, and CsgF in S.Typhi. These targets showed high-binding affinity BcsA (-219.8 Kcal/mol) >csgF (-146.52 Kcal/mol) >ompR (-135.68 Kcal/mol) >CsgE (-134.66 Kcal/mol) >CsgG (-113.81 Kcal/mol) >CsgD(-95.39 Kcal/mol) with therapeutic enzyme L-Asparaginase through various hydrogen-bonds and salt-bridge. We found six proteins of S. Typhi biofilm from the Csg family as druggable multiple targets. CONCLUSION: This study provides insight into the idea of identification of new druggable targets and their multiple targeting with L-Asparaginase to overcome target shortage in S. Typhibiofilm-mediated infections. Results further indicated that L-Asparaginase could potentially be utilized as an antibiofilm biotherapeutic agent against S.Typhi.

Functional Outcome of Lower Limb Long Bone Trauma Management in Pregnant Mothers: A Prospective Study of 30 Cases From a Tertiary Care Centre in North India.

INTRODUCTION: The occurrence of orthopedic injuries during pregnancy carries considerable morbidity and mortality for both the mother and fetus. Successful care of lower limb fractures during pregnancy requires a multidisciplinary approach. Both operative and non-operative treatments must be taken into account by the treating orthopedic physician. There is limited literature available on the management of these lower limb fractures in pregnancy, and peri-operative management of this obstetric and orthopedic trauma is largely unclear. Trauma during pregnancy is a common cause of non-obstetrical maternal death, having a significant public health burden to both the mother and child. The aims and objectives of this study were to review the common causes of lower limb long bone trauma during pregnancy and their functional outcome in terms of morbidity and mortality. This study evaluates various operative and conservative methods of treatment to provide a comprehensive management approach to pregnant patients with lower limb trauma. MATERIALS AND METHODS: A prospective study on functional outcomes of 30 pregnant females who were admitted with lower limb long bone fractures from 2017 to 2021 was done. The patients were randomly selected intra-operatively for various procedures based on the surgeon's preference. All patients were followed for two years or till union occurred, and the radiographic union score for tibial (RUST) and modified radiographic union score for tibial (mRUST) fracture criteria were used to assess bony union clinico-radiologically.  Results: During this study, the mean age of patients was 27 years (range 19-38), having right-side (53.33%) predominance with road traffic accidents (n=22) and falls (n=6) as the most common causes of injury. Two cases of domestic violence were also reported. In our study, the maximum number of cases was 17-25 weeks of their gestation; 12 (40%) patients had tibial fractures, and 18 (60%) had femoral fractures. Six tibial fractures were handled conservatively, while all femoral fractures required surgical intervention. Out of 18 femoral fractures, which were treated surgically, dynamic compression plating was done in 15 (83.33%) patients, while interlock nailing was done in three patients. Six tibial fractures have been operated upon, two (66.66%) with dynamic compression plating and four (33.33%) with an interlocking nail. CONCLUSION: A multidisciplinary approach in terms of both operative and non-operative methods must be taken into account for treating pregnant mothers by the orthopedic physician while carefully weighing the benefits and risks of both procedures. Based on the pattern and displacement of the fracture, many prenatal fractures can be treated conservatively. Another alternative that is frequently safe is to postpone the surgical procedure until childbirth. The physiologic changes associated with pregnancy and any potential dangers to the fetus must be taken into account by the orthopedic surgeon when fractures necessitate surgical intervention. The surgeon is responsible for the patient's correct placement, the C-arm's use, the radiation dose, and the intra-operative fetal monitoring, as well as the danger brought on by anesthetics, antibiotics, analgesics, and anticoagulants.

Interrogating Salmonella Typhi biofilm formation and dynamics to understand antimicrobial resistance.

AIMS: Salmonella Typhi biofilm-mediated infections are globally rising. Due to the emergence of drug resistance antibiotics did not show effective results against S. Typhi biofilm. Therefore, there is an urgent need for an in-depth interrogation of S. Typhi biofilm to understand its formation kinetics, compositions, and surface charge value. METHODS: This study utilized the S. Typhi MTCC-733 strain from a microbial-type culture collection in India. The S. Typhi biofilm was formed on a glass slide in a biofilm development apparatus. Typhoidal biofilm analysis was done with the help of various assays such as a crystal violet assay, SEM analysis, FTIR analysis, Raman analysis, and zeta potential analysis. KEY FINDING: This article contained a comprehensive assessment of the typhoid biofilm formation kinetics, biofilm compositions, and surface charge which revealed that cellulose was a major molecule in the typhoidal biofilm which can be used as a major biofilm drug target against typhoidal biofilm. SIGNIFICANCE: This study provided interrogations about typhoidal biofilm kinetics which provided ideas about the biofilm composition. The cellulose molecule showed a major component of S. Typhi biofilm and it could potentially involved in drug resistance, and offer a promising avenue for developing a new antibiofilm therapeutic target to conquer the big obstacle of drug resistance. The obtained information can be instrumental in designing novel therapeutic molecules in the future to combat typhoidal biofilm conditions effectively for overcoming antibiotic resistance against bacterial infection Salmonella.

An insight decipher on photocatalytic degradation of microplastics: Mechanism, limitations, and future outlook.

Plastic material manufacturing and buildup over the past 50 years has significantly increased pollution levels. Microplastics (MPs) and non-biodegradable residual plastic films have become the two most pressing environmental issues among the numerous types of plastic pollution. These tiny plastic flakes enter water systems from a variety of sources, contaminating the water. Since MPs can be consumed by people and aquatic species and eventually make their way into the food chain, their presence in the environment poses a serious concern. Traditional technologies can remove MPs to some extent, but their functional groups, stable covalent bonds, and hydrophobic nature make them difficult to eliminate completely. The urgent need to develop a sustainable solution to the worldwide contamination caused by MPs has led to the exploration of various techniques. Advanced oxidation processes (AOPs) such as photo-catalytic oxidation, photo-degradation, and electrochemical oxidation have been investigated. Among these, photocatalysis stands out as the most promising method for degrading MPs. Photocatalysis is an environmentally friendly process that utilizes light energy to facilitate a chemical reaction, breaking down MPs into carbon dioxide and water-soluble hydrocarbons under aqueous conditions. In photocatalysis, semiconductors act as photocatalysts by absorbing energy from a light source, becoming excited, and generating reactive oxygen species (ROS). These ROS, including hydroxyl radicals (•OH) and superoxide ions ( [Formula: see text] ), play a crucial role in the degradation of MPs. This extensive review provides a detailed exploration of the mechanisms and processes underlying the photocatalytic removal of MPs, emphasizing its potential as an efficient and environmentally friendly approach to address the issue of plastic pollution.

Deciphering Target Protein Cascade in Salmonella typhi Biofilm using Genomic Data Mining, and Protein-protein Interaction.

Background: Salmonella typhi biofilm confers a serious public health issue for lengthy periods and the rise in antibiotic resistance and death rate. Biofilm generation has rendered even the most potent antibiotics ineffective in controlling the illness, and the S. typhi outbreak has turned into a fatal disease typhoid. S. typhi infection has also been connected to other deadly illnesses, such as a gall bladder cancer. The virulence of this disease is due to the interaction of numerous genes and proteins of S. typhi. Objective: The study aimed to identify a cascade of target proteins in S. typhi biofilm condition with the help of genomic data mining and protein-protein interaction analysis. Methods: The goal of this study was to notice some important pharmacological targets in S. typhi. using genomic data mining, and protein-protein interaction approaches were used so that new drugs could be developed to combat the disease. Results: In this study, we identified 15 potential target proteins that are critical for S. typhi biofilm growth and maturation. Three proteins, CsgD, AdrA, and BcsA, were deciphered with their significant role in the synthesis of cellulose, a critical component of biofilm's extracellular matrix. The CsgD protein was also shown to have high interconnectedness and strong interactions with other important target proteins of S. typhi. As a result, it has been concluded that CsgD is involved in a range of activities, including cellulose synthesis, bacterial pathogenicity, quorum sensing, and bacterial virulence. Conclusion: All identified targets in this study possess hydrophobic properties, and their cellular localization offered proof of a potent therapeutic target. Overall results of this study, drug target shortage in S. typhi is also spotlighted, and we believe that obtained result could be useful for the design and development of some potent anti-salmonella agents for typhoid fever in the future.

Substantial relation between the bacterial biofilm and oncogenesis progression in host.

Globally, bacteria are well-known microorganisms for bacterial biofilm infection. Bacterial biofilm has generated antibiotic resistance and led the persistent infection. But new complications arise with a biofilm that bacterial biofilm shows the new association with oncogenesis. Some bacteria have a carcinogenic nature at the chronic infection stage like Salmonella Typhi, Helicobacter pylori. Thus, biofilm has a significant role in oncogenesis. Few pieces of evidence also support that the bacterial biofilm has a potential role to develop oncogenesis in the human body. Bacterial biofilm is responsible to induce chronic inflammation and is the main basis for the oncogenesis process. But bacterial biofilm association with the oncogenesis mechanism is unknown yet. This article focuses on the function of bacterial biofilm in tumor formation and the mechanism that encourages the oncogenesis and provide a possible and interesting hypothesis involved in between biofilm and host oncogenesis progression. The discussed relationship will provide a sound direction in the field of oncology and concept may give an informative direction in diagnosis and treatment. Bacterial biofilm behavior could be significantly linked with cancer cell formation. This article attracts the attention of researchers of the field because biofilm mediated oncogenesis further indicate towards an important issue in human health.

Drying characteristics of thin layer of potato (Solanum tuberosum): experimental and computational studies.

Solar drying is a renewable energy-based technique which is widely used for food preservation purpose. In this study, various drying characteristics of the solar-dried Solanum tuberosum samples of different thicknesses have been investigated at variable climate condition of Lucknow. A mathematical model has also been developed to validate experimental results to predict the drying rate, free moisture content, and other parameters. Pre-treatment of the food samples was also done before the experimental runs on the fabricated solar dryer. Global radiation has also been monitored during the study to correlate the heat transfer rate in inner and outer sides of the solar drying chamber. SEM analysis has also been done to analyze the surface morphology of solar-dried samples. All solar dried food samples have uniformly heated. There was no hot-spot condition present on the surface of the samples. The drying efficiency and payback period of the fabricated solar dryer have also been calculated as 22.9% and 1.42 years, respectively. Model data have been found in good agreement with the experimental data within a 5% error. This modified model can be used for different agro-based food materials such as carrot, kiwifruit, and yam.

Doped graphitic carbon nitride (g-C3N4) catalysts for efficient photodegradation of tetracycline antibiotics in aquatic environments.

Tetracyclines (TCs) antibiotics are very common and often used in both human and veterinary medicines. More than 75% of TCs are excreted in an active condition and released into the environment, posing a risk to the ecosystem and human health. Residual antibiotics are in global water bodies, causing antibiotic resistance and genotoxicity in humans and aquatic organisms. The ever-increasing number of multi-resistant bacteria caused by the widespread use of antibiotics in the environment has sparked a renewed interest in developing more sustainable antibiotic degradation processes. In this regard, photodegradation technique provides a promising solution to resolve this growing issue, paving the way for complete antibiotic degradation with the generation of non-toxic by-products. As a fascinating activity towards visible light range shown by semiconductor, graphitic carbon nitride (g-C3N4) has a medium bandgap, non-toxicity, chemically stable complex, and thermally great strength. Recent studies have concentrated on the performance of g-C3N4 as a photocatalyst for treating wastewater. Pure g-C3N4 exhibits limited photocatalytic activity due to insufficient sunlight usage, small surface area, and a high rate of recombination of electron and hole ([Formula: see text] & [Formula: see text]) pairs created in photocatalytic activity. Doping of g-C3N4 is a very effective method for improving the activity as element doped g-C3N4 shows excellent bandgap and electronic structure. Doping significantly broadens the light-responsive range and reduces recombination of e- & h+ pairs. Under above context, this review provides a systematic and comprehensive outlook of designing doped g-C3N4 as well as efficiency for TCs degradation in aquatic environment.

Noble metal-free doped graphitic carbon nitride (g-C3N4) for efficient photodegradation of antibiotics: progress, limitations, and future directions.

Graphitic carbon nitride (g-C3N4) is well recognised as one of the most promising materials for photocatalytic activities such as environmental remediation via organic pollution elimination. New methods of nanoscale structure design introduce tunable electrical characteristics and broaden their use as visible light-induced photocatalysts. This paper summarises the most recent developments in the design of g-C3N4 with element doping. Various methods of introducing metal and nonmetal elements into g-C3N4 have been investigated in order to simultaneously tune the material's textural and electronic properties to improve its response to the entire visible light range, facilitate charge separation, and extend charge carrier lifetime. The degradation of antibiotics is one of the application domains of such doped g-C3N4. We expect that this research will provide fresh insights into clear design methods for efficient photocatalysts that will solve environmental challenges in a sustainable manner. Finally, the problems and potential associated with g-C3N4-based nanomaterials are discussed. This review is expected to encourage the ongoing development of g-C3N4-based materials for greater efficiency in photocatalytic antibiotic degradation.

Resistance-proof antimicrobial drug discovery to combat global antimicrobial resistance threat.

Drug resistance is well-defined as a serious problem in our living world. To survive, microbes develop defense strategies against antimicrobial drugs. Drugs exhibit less or no effective results against microbes after the emergence of resistance because they are unable to cross the microbial membrane, in order to alter enzymatic systems, and/or upregulate efflux pumps, etc. Drug resistance issues can be addressed effectively if a "Resistance-Proof" or "Resistance-Resistant" antimicrobial agent is developed. This article discusses first the need for resistance-proof drugs, the imminent properties of resistance-proof drugs, current and future research progress in the discovery of resistance-proof antimicrobials, the inherent challenges, and opportunities. A molecule having imminent resistance-proof properties could target microbes efficiently, increase potency, and rule out the possibility of early resistance. This review triggers the scientific community to think about how an upsurge in drug resistance can be averted and emphasizes the discussion on the development of next-generation antimicrobials that will provide a novel effective solution to combat the global problem of drug resistance. Hence, resistance-proof drug development is not just a requirement but rather a compulsion in the drug discovery field so that resistance can be battled effectively. We discuss several properties of resistance-proof drugs which could initiate new ways of thinking about next-generation antimicrobials to resolve the drug resistance problem. This article sheds light on the issues of drug resistance and discusses solutions in terms of the resistance-proof properties of a molecule. In summary, the article is a foundation to break new ground in the development of resistance-proof therapeutics in the field of infection biology.

Frequently Used Allopathic and Traditional Medicine for COVID-19 Treatment and Feasibility of Their Integration.

To date, no satisfactory treatment for COVID-19 is available. This review reported few recent updates regarding the drugs (allopathy/traditional medicines) used for the treatment of COVID-19 concerning clinical studies. Content of the article spotlight the contribution of allopathic and Ayurvedic drugs to the scientific basis for utilization as a potential therapy against COVID-19 infection and provide new insights on the integration of allopathy and traditional medicine. It advocated the combination of these two systems of treatment will ascertain their integrations, and there would be a good possibility and scope for developing a model of integration in the management of COVID-19. Provided discussion may help researchers, physicians, and healthcare policymakers to encourage for effective and integrated use of allopathic and Ayurvedic medicines to control the COVID-19 pandemic more effectively.

Adapting Policy Guidelines for Spine Surgeries During COVID-19 Pandemic in View of Evolving Evidences: An Early Experience From a Tertiary Care Teaching Hospital.

Introduction The recent novel coronavirus disease 2019 (COVID-19) pandemic has brought the world to a standstill. This outbreak not only affected healthcare systems but the resultant economic losses were also enormous. COVID-19 has demanded that the health care systems globally evolve, develop new strategies, identify new models of functioning, and at times, fall back on the old conservative methods of orthopedic care to decrease the risk of disease transmission. Although, the majority of hospitals are refraining from performing elective surgeries, emergent and urgent procedures cannot be delayed. Various strategies have been developed at the institute level to reduce the risk of infection transmission among the theatre team from an unsuspected patient (asymptomatic and presymptomatic) during the perioperative period. Material and methods The present study is a part of an ongoing project which is being conducted in a tertiary level hospital after obtaining research review board approval. All patients admitted either for vertebral fracture or spinal cord compression from February 2020 to May 2020 were included. The present study included 13 patients (nine males and four females) with an average age of 35.4 years The oldest patient was of 63 years which is considered a risk factor for developing severe COVID-19 infection.  Results Eight patients (61.5%) presented with spinal cord injury (SCI) due to vertebral fracture with fall from height (87.5%) as the most common etiology. Among the traumatic SCI patients, six (75%) were managed surgically with posterior decompression and instrumented fusion with pedicle screws while two patients (25%) were managed conservatively. There were four patients (30.8%) of tuberculosis of the spine of whom two (50%) were managed with posterior decompression, debridement, and stabilization with pedicle screws, samples for culture, biopsy, and cartridge-based nucleic acid amplification test (CBNAAT) were collected during the procedure; for the remaining two patients (50%), a trans-pedicular biopsy was performed to confirm the diagnosis for initiation of anti-tubercular therapy. Prolapsed intervertebral disc causing cauda equina syndrome was the reason for emergency surgery in one patient (7.7%). COVID-19 severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) reverse transcription-polymerase chain reaction (RT-PCR) test was performed in four patients (30.8%), in whom the most common symptom was fever (two patients (50%)). These patients were residents of high prevalence area for COVID-19 infection. Sore throat (25%), fatigue (25%), and low oxygen saturation (25%) were present in one patient which prompted us to get the COVID-19 test. All patients were reported negative for COVID-19. Conclusion The structural organization and the management protocol we describe allowed us to reduce infection risk and ultimately hospital stay, thereby maximizing the already stretched available medical resources. These precautions helped us to reduce transmission and exposure to COVID-19 in health care workers (HCW) and patients in our institute. The aim of this article is that our early experience can be of value to the medical communities that will soon be in a similar situation.

Thoracic Pedicle Morphometry of Dry Vertebral Columns in Relation to Trans-Pedicular Fixation: A Cross-Sectional Study From Central India.

Introduction Trans-pedicular screw fixation is one of the main modalities of spinal instrumentation today. It is particularly challenging in the thoracic spine due to the narrow pedicle dimensions especially in the upper and mid-thoracic levels. We aimed to study the anatomical variations like pedicle dimensions and angulation in transverse and sagittal planes. Material and methods We conducted an anatomical investigation on 20 dry vertebral columns (14 male and six female), from T1 to T12 levels. The measurements included pedicle width, height, and transverse and sagittal angles of the pedicle. Numerical variables were summarized using mean and standard deviation. Results T12 vertebra was found to have the widest pedicle width (mean 7.89 ± 0.70 mm) and the widest pedicle height (mean 15.45±0.78 mm) while T5 vertebra (mean 3.65±0.40 mm) had the narrowest pedicle width. T1 vertebra had the maximum transverse angle of the pedicle (mean 30.37±2.56 degree); whereas, T2 vertebra had the maximum sagittal angle (mean 19.22±2.24 degree). Conclusion We have reported detailed pedicle measurements including their angulation for the thoracic spine in dry vertebral columns of central India. The pedicles are directed more medially from T1 to T10 levels and are almost neutral at T11 and T12 levels. These findings would not only be of immense help to the spinal surgeons but also help in designing implants and instrumentations specific for the thoracic spine for the central Indian population as well as aiding surgeons to perform more precise and, therefore, safe surgical procedures.

Preparation and characterization of CuO catalyst for the thermolysis treatment of distillery wastewater.

CuO catalyst was prepared from copper sulfate by alkali precipitation method followed by drying and calcination. Characterization of CuO catalyst using X-ray diffraction, Brunauer-Emmett-Teller, and Barrett-Joyner-Halenda surface area analysis envisaged the effectiveness of CuO as a catalyst for the treatment of biodigester effluent (BDE) emanated from distilleries. The catalytic thermolysis is an efficient advance treatment method for distillery biodigester effluent (BDE). CT treatment of BDE was carried out in a 0.5 dm3 thermolytic batch reactor using CuO as a catalyst at different pH (1-9), temperatures (80-110°C), and catalyst loadings (1-4 kg/m3). With CuO catalyst, a temperature of 110°C, catalyst loading of 4 kg/m3, and pH of 2 was found to be optimal, providing a maximum reduction in chemical oxygen demand of 65%. The settling characteristics at different temperatures of CT-treated sludge were also presented.

Eucalyptol, sabinene and cinnamaldehyde: potent inhibitors of salmonella target protein L-asparaginase.

Salmonella typhimurium is a severe threat to human life. The treatment became more difficult with the emergence of multidrug resistance. In the present in silico study, a novel drug target L-asparaginase was tested against three ligands eucalyptol, sabinene, and cinnamaldehyde, major components of cardamom, nutmeg, and cinnamon, respectively. The lowest docking score was obtained for sabinene followed by eucalyptol and cinnamaldehyde i.e. -5.648, -3.939 and -3.469. The docking score of sabinene is also better than the standard drug, Ciprofloxacin (-4.661) and natural substrate L-asparagine (-5.497). The amino acid residues involved in interactions inside the binding pocket are threonine 115 and threonine 35. The ADMET profile studied, also suggests the potency of the test ligands as a drug candidate. The results suggest they could be safe alternatives of chemical compounds to treat infections and combat multidrug-resistant bacteria.

Putative Drug and Vaccine Target Identification in Leishmania donovani Membrane Proteins Using Naïve Bayes Probabilistic Classifier.

Predicting the role of protein is one of the most challenging problems. There are few approaches available for the prediction of role of unknown protein in terms of drug target or vaccine candidate. We propose here Naïve Bayes probabilistic classifier, a promising method for reliable predictions. This method is tested on the proteins identified in our mass spectrometry based membrane protemics study of Leishmania donovani parasite that causes a fatal disease (Visceral Leishmaniasis) in humans all around the world. Most of the vaccine/drug targets belonging to membrane proteins are represented as key players in the pathogenesis of Leishmania infection. Analyses of our previous results, using Naïve Bayes probabilistic classifier, indicate that this method predicts the role of unknown/hypothetical protein (as drug target/vaccine candidate) significantly with higher precision. We have employed this method in order to provide probabilistic predictions of unknown/hypothetical proteins as targets. This study reports the unknown/hypothetical proteins of Leishmania membrane fraction as a potential drug targets and vaccine candidate which is vital information for this parasite. Future molecular studies and characterization of these potent targets may produce a recombinant therapeutic/prophylactic tool against Visceral Leishmaniasis. These unknown/hypothetical proteins may open a vast research field to be exploited for novel treatment strategies.

Docking and ADMET prediction of few GSK-3 inhibitors divulges 6-bromoindirubin-3-oxime as a potential inhibitor.

GSK-3 is a member of cellular kinases with diversified functions such as cellular differentiation, metabolic signaling, neuronal functions and apoptosis. It has been validated as an important therapeutic target in Alzheimer's disease and type 2 diabetes. Few molecules targeting GSK-3 are currently in clinical trials. In this study, we have compared certain docking and computational ADME (Absorption, Distribution, Metabolism, Excretion) parameters of a few GSK-3 targeted ligands (Indirubin, Hymenialdisine, Meridianins, 6-bromoindirubin-3-oxime) against two control molecules (Tideglusib and LY-2090314) to derive and analyze the basic drug-like properties of the test compounds. Docking between the GSK-3 and various ligands was done using AutoDock while ADME parameters were derived from ADMET server PreADMET and admetSAR. Various docked images were retrieved from docking, indicating the docking sites in the target protein. Out of four compounds tested, 6-bromoindirubin-3-oxime (6-BIO) was found as the best docking and ADME parameters, followed by Hymenialdisine (HMD). The LigPlot interaction results show two residues Leu (188) and Thr (138) to be common at the interaction site. The LD50 of 6-BIO is better than one of the control ligands while very similar to the other. Some of the parameters were very similar to the control ligands, thus, making it a suitable candidate among the test ligands. From this in-silico study, we concluded that 6-BIO is a potent drug candidate which could be further tested in vitro and in vivo to establish a drug molecule. Since, 6-BIO is a chemically modified form of the basic molecule Indirubin, we can hypothesize that certain other modified indirubins could be tested as GSK-3 targeted ligands.

Ecotoxic heavy metals transformation by bacteria and fungi in aquatic ecosystem.

Water is the most important and vital molecule of our planet and covers 75% of earth surface. But it is getting polluted due to high industrial growth. The heavy metals produced by industrial activities are recurrently added to it and considered as dangerous pollutants. Increasing concentration of toxic heavy metals (Pb(2+), Cd(2+), Hg(2+), Ni(2+)) in water is a severe threat for human. Heavy metal contaminated water is highly carcinogenic and poisonous at even relatively low concentrations. When they discharged in water bodies, they dissolve in the water and are distributed in the food chain. Bacteria and fungi are efficient microbes that frequently transform heavy metals and remove toxicity. The application of bacteria and fungi may offer cost benefit in water treatment plants for heavy metal transformation and directly related to public health and environmental safety issues. The heavy metals transformation rate in water is also dependent on the enzymatic capability of microorganisms. By transforming toxic heavy metals microbes sustain aquatic and terrestrial life. Therefore the application of microbiological biomass for heavy metal transformation and removal from aquatic ecosystem is highly significant and striking. This paper reviews the microbial transformation of heavy metal, microbe metal interaction and different approaches for microbial heavy metal remediation from water bodies.