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BACKGROUND: Dengue fever has become a significant worldwide health concern, because of its high morbidity rate and the potential for an increase in mortality rates due to lack of adequate treatment. There is an immediate need for the development of effective medication for dengue fever. METHODS: Homology modeling of dengue virus (DENV) non-structural 4B (NS4B) protein was performed by SWISS-MODEL to predict the 3D structure of the protein. Structure validation was conducted using PROSA, PROCHECK, Ramachandran plot, and VERIFY-3D. MOE software was used to find out the in-Silico inhibitory potential of the five triterpenoids against the DENV-NS4B protein. RESULTS: The SWISS-MODEL was employed to predict the three-dimensional protein structure of the NS4B protein. Through molecular docking, it was found that the chosen triterpenoid NS4B protein had a high binding affinity interaction. It was observed that the NS4B protein binding energy for 15-oxoursolic acid, betulinic acid, ursolic acid, lupeol, and 3-o-acetylursolic acid were - 7.18, - 7.02, - 5.71, - 6.67 and - 8.00 kcal/mol, respectively. CONCLUSIONS: NS4B protein could be a promising target which showed good interaction with tested triterpenoids which can be developed as a potential antiviral drug for controlling dengue virus pathogenesis by inhibiting viral replication. However, further investigations are necessary to validate and confirm their efficacy.
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Antivirales , Virus del Dengue , Simulación del Acoplamiento Molecular , Triterpenos , Proteínas no Estructurales Virales , Proteínas no Estructurales Virales/química , Proteínas no Estructurales Virales/metabolismo , Triterpenos/farmacología , Triterpenos/química , Virus del Dengue/efectos de los fármacos , Virus del Dengue/química , Antivirales/farmacología , Antivirales/química , Unión Proteica , Humanos , Dengue/virología , Dengue/tratamiento farmacológico , Conformación Proteica , Proteínas de la MembranaRESUMEN
This study aimed to formulate nano-cubosomes (NCs) co-loaded with capsaicin (CAP) and thiocolchicoside (TCS) to enhance their bioavailability and minimize associated potential side effects through transdermal delivery alongside their synergistic activity. Twenty seven (27) nano-cubosomal dispersions were prepared according to Box-Behnken factorial design and the effect of CAP, TCS, glyceryl mono oleate (GMO) and poloxamer 407 (P407) concentrations on particle size, polydispersity index (PDI), zeta potential, and entrapment efficiency were assessed. The results revealed that the optimized formulation exhibited a mean droplet size of 503 ± 10.3 nm, PDI of 0.405 ± 0.02, zeta potential of -10.0 ± 1.70 mV and entrapment efficiency of 86.9 ± 3.56 %. The in vivo anti-inflammatory effect of optimized formulation was studied in rats by injecting carrageenan to induce edema. The results of in vivo study showed that transdermal application of nano-cubosomes co-loaded with CAP and TCS significantly (p value < 0.05) improved carrageenan induced inflammation compared with standard treatment. The analgesic activity of optimized formulation was evaluated in rats by using Eddy's hot plate method. The findings of analgesic activity illustrated that the analgesic effects exhibited by test formulation may be associated with increased licking period and inhibition of prostaglandins level. In conclusion, the transdermal application of NCs co-loaded with CAP and TCS may be a promising delivery system for enhancing their bioavailability as well as synergistic analgesic and anti-inflammatory activity in gout management.
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The current study is designed to synthesize gold nanoparticles using Ajuga bracteosa extract, which is a highly known medicinal herb found in the northern Himalayas. The synthesized gold nanoparticles were initially characterized by UV-Vis spectrophotometer, SEM, FTIR, pXRD, and, GC-MS. Antibacterial efficacy of A. bracteosa extract, AuNps, and AuNps-free supernatant activity was checked against highly pathogenic clinical isolates of Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa via agar well diffusion method, assuming that supernatant might have active compounds. The Nps-free supernatant showed the maximum antibacterial activity against E. coli (20.8±0.3 mm), Staphylococcus aureus (16.5±0.5), and Pseudomonas aeruginosa (13±0.6). While green synthesized AuNps showed effective antibacterial activity (Escherichia coli (16.4±0.3mm), Staphylococcus aureus (15.05±0.5mm), and Pseudomonas aeruginosa (11.07±0.6mm)) which was high compared to A. bracteosa extract. Anticancer activity was assessed by MTT assay on U87 and HEK293 cell lines. Aj-AuNps have an antigrowth effect on both the cell lines however Aj-AuNps-free supernatant which was also evaluated along with the Aj-AuNps, showed high toxicity toward HEK293 cell line compared to U87. Further, the GC-MS analysis of supernatant showed the presence of resultant toxic compounds after the reduction of gold salt, which include Trichloromethane, Propanoic acid, 2-methyl-, methyl ester, Methyl isovalerate, Pentanoic acid, 2-hydroxy-4-methyl-, Benzene-propanoic acid, and alpha-hydroxy. Based on the observation small molecular weight ligands of Ajuga bracteosa were analyzed in-silico for their binding efficacy towards selected membrane proteins of our target pathogens. RMSD is also calculated for the best docked protein ligand pose. The results revealed that among all listed ligands, Ergosterol and Decacetylajugrin IV have high virtuous binding affinities towards the membrane proteins of targeted pathogens. The current findings revealed that the Aj-AuNps are good antibacterial as well as anticancerous agents while the Nps-free supernatant is also exceedingly effective against resistant pathogens and cancer cell lines.
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Ajuga , Nanopartículas del Metal , Humanos , Ajuga/química , Propionatos , Oro/química , Escherichia coli , Ligandos , Células HEK293 , Nanopartículas del Metal/química , Antibacterianos/farmacología , Antibacterianos/química , Staphylococcus aureus , Extractos Vegetales/farmacología , Extractos Vegetales/química , Pruebas de Sensibilidad Microbiana , Tecnología Química Verde/métodosRESUMEN
We describe a new synthetic methodology for the preparation of high quality, emission tuneable InP-based quantum dots (QDs) using a solid, air- and moisture-tolerant primary phosphine as a group-V precursor. This presents a significantly simpler synthetic pathway compared to the state-of-the-art precursors currently employed in phosphide quantum dot synthesis which are volatile, dangerous and air-sensitive, e.g. P(Si(CH3)3)3.
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Bacterial resistance to antibiotics and host defense systems is primarily due to bacterial biofilm formation in antibiotic therapy. In the present study, two complexes, bis (biphenyl acetate) bipyridine Cu (II) (1) and bis (biphenyl acetate) bipyridine Zn (II) (2), were tested for their ability to prevent biofilm formation. The minimum inhibitory concentration and minimum bactericidal concentration of complexes 1 and 2 were 46.87 ± 1.822 and 93.75 ± 1.345 and 47.87 ± 1.345 and 94.85 ± 1.466 µg/mL, respectively. The significant activity of both complexes was attributed to the damage caused at the membrane level and was confirmed using an imaging technique. The biofilm inhibitory potential levels of complexes 1 and 2 were 95% and 71%, respectively, while the biofilm eradication potential levels were 95% and 35%, respectively, for both complexes. Both the complexes showed good interactions with the E. coli DNA. Thus, complexes 1 and 2 are good antibiofilm agents that exert their bactericidal actions possibly by disrupting the bacterial membrane and interacting with the bacterial DNA, which can act as a powerful agent to restrain the development of bacterial biofilm on therapeutic implants.
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Antibacterianos , Escherichia coli , Antibacterianos/farmacología , Biopelículas , Bacterias , Pruebas de Sensibilidad Microbiana , ZincRESUMEN
The unplanned anthropogenic activities and raced industrial revolution detrimentally causes serious threat to terrestrial and aquatic life. A high discharge of wastewater from industries using dyes affects living organisms and the environment. This paper presents studies on polycationic selenides (PCS) synthesized by hydrothermal methods for photocatalytic degradation of dyes. The synthesized PCS were confirmed by various characterization techniques such as FTIR, SEM, EDX, UV/Vis, and XRD. The FTIR spectra revealed characteristic band at 843, 548 cm-1, and 417 cm-1 due to the M - Se stretching and intrinsic stretching vibrations, respectively. The optical bandgap of polycationic selenide lies in the visible light region (2.36 eV). The SEM images showed that PCS has a spherical shape with an average crystallite size of 29.23 nm calculated from XRD data using Scherer's equation. The PCS has a point of zero charge (PZC) at pH 7. The efficiency of synthesized PCS photocatalyst was confirmed in terms of its activity towards Eosin (EY) and Crystal violet (CV) dyes mineralization. The photocatalytic degradation for EY and CV dyes at optimum conditions was 99.47% and 99.31% and followed second order reactions kinetics with 1.4314 and 0.551 rate constant, respectively. The polynomial quadratic model is the best-fitted response surface methodology (RSM) model having a maximum desirability factors value and significant terms, with R2 (0.9994) and adj R2 values (1.0).
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Luz Solar , Purificación del Agua , Aguas Residuales , Colorantes/química , Textiles , CatálisisRESUMEN
Due to the rapid race of industrialization natural assets like fresh water has been deteriorated causing lethal effects in living organisms. In the current study robust and sustainable composite of in-situ antimony nanoarchitectonics in chitosan/synthesized carboxymethyl chitosan matrix were synthesized. To improve solubility, metal adsorption and water decontamination, chitosan was modified into carboxymethyl chitosan and the modification was confirmed through various characterization techniques. The characteristic bands in the FTIR spectrum confirm substitution of carboxymethyl group in the chitosan. This was further illustrated that the characteristic proton peaks of CMCh observed at δ = 4.097 to 4.192 ppm, suggesting O-carboxy methylation of chitosan by 1H NMR. The second order derivative of potentiometric analysis confirmed 0.83 degree of substitution. The antimony (Sb) loaded modified chitosan were confirmed by FTIR and XRD analysis. The potential effectiveness of chitosan matrix was determined and compared toward reductive removal of the Rhodamine b dye. Rhodamine b mitigation is following first order kinetics with R2 value of 0.9832 and 0.969 with a constant rate of 0.0977 and 0.2534 ml/min for Sb loaded chitosan and carboxymethyl chitosan respectively. The Sb/CMCh-CFP enables us to achieve 98.5 % mitigation efficiency within 10 min. The CMCh-CFP chelating substrate was found stable and efficient even after 4th batches of cycles with <4 % decrease in efficiency. The in-situ synthesized material was found tailored composite, in terms of dyes remediation, reusability and biocompatibility as compared to chitosan.
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Quitosano , Restauración y Remediación Ambiental , Quitosano/química , Antimonio , Solubilidad , Cobre/química , Protones , AdsorciónRESUMEN
Background: Withania coagulans is one of the most important medicinal herbs due to its wide range of biological activities. The aim of this study was to compare the hepatoprotective activity of crude methanolic extract versus n- hexane fraction of fruit of Withania coagulans in CCl4 induced liver toxicity. Methods: This study was done on 36 Balb c mice in Department of Anatomy of Khyber Medical College Peshawar. Results: The mean serum of Group 1(control Group) was 33.41±1.82U/L, for Group 2 (CCl4 treated Group) was 89.01±7.51 U/L, for Group 3(low dose Group) was 49.91±3.48 U/L and for Group 4 (High dose Group) was 50.86±4.87 U/L. There was significant difference in the readings of Group1 and Group 2 which indicated CCL4 induced hepatotoxicity in two groups. There was significant difference in the values of Group 3 and Group 4 (p value .000), showing the hepatotoxicity in these Groups was further enhanced. The mean AST at the end of six weeks for Group1 was 26.80±3.21U/L, for Group 2 was 149.01±13.63U/L, for Group 3 (including both low doses) was 70.81±7.92U/L and for Group 4 (High doses group) was 51.01±11.05U/. Conclusion: Withania coagulans both fractions have hepatoprotective effect against CCL4 induced hepatic toxicity in high and low doses in Balb c mice.
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Enfermedad Hepática Inducida por Sustancias y Drogas , Withania , Ratones , Animales , Extractos Vegetales/farmacología , Extractos Vegetales/uso terapéutico , Hexanos/farmacología , Ratones Endogámicos BALB C , Hígado , Metanol/farmacología , Enfermedad Hepática Inducida por Sustancias y Drogas/prevención & control , Enfermedad Hepática Inducida por Sustancias y Drogas/tratamiento farmacológicoRESUMEN
Rapid industrialization and global warming have threatened the plants with multiple abiotic stresses, such as heavy metals and drought stress. For crop cultivation, the conventional approach of cleaning the soils by excavation is very costly and not feasible for large scale. Establishing toxin-free and drought-resistant crops is a major challenge in the environment under natural and anthropogenic pressure. In the past decades, copper contamination of agricultural land has become an emerging concern. For dry land reclamation, several new strategies, including bioremediation (phytoremediation and microbial remediation), have been used. Owing to the potential of Cu hyperaccumulators, the current project aims to enhance the drought tolerance and the phytoremediation potential of Solanum lycopersicum L. with the inoculation of copper and 12% polyethylene glycol (PEG)-induced drought stress-tolerant endophytic fungus Porostereum spadiceum AGH786 under the combined stress of copper heavy metal and PEG-induced drought stress. When S. lycopersicum L. was watered with individual stress of copper (Cu) concentration (400 ppm) in the form of copper sulfate (CuSO4.5H2O), 12% PEG-induced drought stress and the combined stress of both negatively affected the growth attributes, hormonal, metabolic, and antioxidant potential, compared with control. However, the multistress-resistant AGH786 endophytic fungus ameliorated the multistress tolerance response in S. lycopersicum L. by positively affecting the growth attributes, hormonal, metabolic, and antioxidant potential, and by restricting the root-to-shoot translocation of Cu and inducing its sequestration in the root tissues of affected plants. AGH786-associated plants exhibited a reduction in the severity of copper (Cu) and drought stress, with higher levels of SlCOPT (Cu transporters) and SlMT (metallothionine) gene expressions in root and shoot tissues, indicating that AGH786 contributed to resistance to copper metal toxicity and drought stress in the host S. lycopersicum L.
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An easy, verified spectrofluorimetric approach was established for the investigation of moxifloxacin in pure forms, pharmaceutical preparations, and biological fluids. The approach involves forming a binary complex of moxifloxacin and eosin Y in an acetate buffer with a pH of 3.6. The highest quenching of eosin Y with moxifloxacin occurs at 545 nm. Several factors, such as pH, buffer type and concentration, and eosin Y concentration, were carefully studied. The calibration graph showed a linear relationship between fluorescence intensity and moxifloxacin concentrations between 0.2 and 10 µg mL-1 with a correlation coefficient of 0.998. It was determined that the detection and quantification limits were 0.0322 µg mL-1 and 0.0976 µg mL-1, respectively. The impact of common excipients was investigated, but no interferences were discovered. Standard forms of moxifloxacin, pharmaceuticals, and biological samples have all been studied using the established methodology. The method, which successfully complied with ICH requirements, was used for the analysis of moxifloxacin in its pure form, pharmaceutical dosage forms, and biological samples. The percentage recoveries obtained were ranged from 99.50 to 102.50% for pharmaceutical preparations and from 100.50 to 102.50% for human blood plasma and urine. Proposed mechanisms for the reaction between moxifloxacin and eosin Y.
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Moxifloxacino , Humanos , Eosina Amarillenta-(YS) , Espectrometría de Fluorescencia/métodos , Preparaciones FarmacéuticasRESUMEN
Alzheimer's disease (AD) is one of the main healthcare challenges of the twenty-first century, not only affecting millions of people's quality of life but also increasing the burden on the medical community, families, and society. It is a neurodegenerative disorder characterized by learning and cognitive dysfunction, behavioral turbulence, and memory loss and is a major cause of dementia, contributing to 50-60 % of dementia cases in patients above the age of 65. The major pathophysiological changes include accumulation of beta-amyloid plaques (Aß), highly phosphorylated tau protein, neuroinflammation, GABA neurotransmission disruption, mitochondrial dysfunction, neuronal damage due to free radicals, and decreased concentration of acetylcholine (ACh) and butyrylcholine (BCh). The inability of commercial therapeutics, such as donepezil, rivastigmine, galantamine, and tacrine, leads to the attraction toward phytochemical-based therapeutics. Phytochemicals derived from plants exhibit neuroprotection via targeting apoptosis, neurotrophic factor deficit, mitochondrial dysfunction, oxidative stress, and abnormal accumulation of proteins. Here, we discussed some of the neuroprotective phytochemicals used for the treatment of neurodegenerative diseases like AD and dementia.
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Enfermedad de Alzheimer , Humanos , Enfermedad de Alzheimer/tratamiento farmacológico , Enfermedad de Alzheimer/metabolismo , Calidad de Vida , Rivastigmina , Donepezilo , Péptidos beta-Amiloides/metabolismo , Fitoquímicos/farmacología , Fitoquímicos/uso terapéuticoRESUMEN
The quality of recycled aggregates from construction and demolition waste (CDW) is strictly related to the content of porous and low strength phases and is specifically related to the high content of brick particles, despite representing approximately 50â¯wt.% of the total recycled aggregates. This paper focus on air jigging separation studies for removing brick particles from recycled construction and demolition waste aggregates. The operational parameters were achieved by studying the aggregate movement trajectories based on the small specific density differences of 2.52â¯g/cm3 and 1.97â¯g/cm3. Separation tests were conducted with a binary mixture of concrete and brick particles ranging from 5 to 10â¯mm for three operational parameters. The attained results confirmed that the brick fraction increases the water absorption and compromises the consistency and strength of the recycled aggregates. The proposed air jigging separation method was effective at reducing brick particle content and producing significant recycled concrete aggregates with a purity of 95â¯wt.%, paving the way for greater use of recycled aggregates in high grade applications, such as concrete and pavement layers.
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Materiales de Construcción , Administración de Residuos , Residuos Industriales , Porosidad , ReciclajeRESUMEN
This study provides the first annotated check list of the Vespidae of Pakistan. It is based on the National Insect Museum collection and various studies in Pakistan. Among 105 identified taxa, 77 species and 28 subspecies are recorded in the four subfamilies Eumeninae, Masarinae, Polistinae and Vespinae. Three new records for the fauna of Pakistan are added, namely Anterhynchium mellyi, Antepipona ovalis and Eumenes coronatus coronatus. Among the total, 12 species/subspecies are endemic to Pakistan, namely Ancistrocerus pakistanus, Antepipona luteipes, Antodynerus flavescens karachiensis, Celonites nursei, Cyrtolabulus karachiensis, Eustenancistrocerus (Parastenancistrocerus) baluchistanensis, Katamenes dimidiatus watsoni, Knemodynerus lahorensis, Leptochilus (Neoleptochilus) hina, Leptochilus (Neoleptochilus) mirificus, Leptochilus (Neoleptochilus) umerolatus and Tachyancistrocerus pakistanus. Antepipona varentzowi (Morawitz, 1896) and Polistes rothneyi quatei van der Vecht, 1968 were incorrectly reported from Pakistan.
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Avispas , Animales , PakistánRESUMEN
This study represents the first complete modern account of the Sphingidae of Pakistan and takes the form of an annotated checklist, based on several national collections and those of a number of individuals. Of the 60 species and subspecies found, 14 are new records to the fauna of Pakistan, namely Agnosia orneus, Langia zenzeroides subsp. zenzeroides, Polyptychus trilineatus subsp. trilineatus, Dolbina inexacta, Ambulyx sericeipennis subsp. sericeipennis, Thamnoecha uniformis, Macroglossum belis, Macroglossum stellatarum, Cechetra scotti, Hippotion boerhaviae, Hyles euphorbiae subsp. euphorbiae, Rhagastis olivacea, Rethera brandti subsp. euteles and Theretra latreillii subsp. lucasii. Anambulyx elwesi subsp. kitchingi and Clanis deucalion subsp. thomaswitti are not recognised as valid subspecies and are synonymized with their respective nominotypical subspecies. An additional list is given of 30 taxa which may yet be found in Pakistan as they are present in neighbouring countries close to the border. Of the species/subspecies found, 24 are part of the Palaearctic fauna, 27 are part of the Oriental fauna and nine are Palaeo-Oriental/Palaeotropical. This reconfirms the transitional biogeographical position of the Pakistan fauna.
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Biodiversidad , Mariposas Nocturnas/clasificación , Animales , Femenino , Masculino , Mariposas Nocturnas/anatomía & histología , PakistánRESUMEN
The peach fruit fly, Bactrocera zonata, is a significant pest of fruit and vegetable crops in South East Asia and Pacific region. Ccontrol strategies of fruit flies, relying chiefly on insecticides, have serious environmental consequences, disturbing the agro-ecosystem as well as eliminating natural enemies. This study was oriented at exploring the potential of turmeric, Curcuma longa, extracts to control the peach fruit fly. Freshly emerged female adults of Bactrocera zonata were continuously fed for 16 days on diet containing 1000, 500 and 250 ppm of acetone extract of Curcuma longa separately in laboratory cages. The extract caused 85.00, 66.67 and 56.67 percent mortality at 1000, 500 and 250 ppm respectively. The surviving females were mated and allowed to reproduce on clean guava fruits in separate cages. The inhibition in pupal progeny was 67.90, 60.74 and 51.96 percent in the flies fed on 1000, 500 and 250 ppm, the inhibition observed in adult progeny was 84.68, 79.03 and 67.74 percent, respectively.
A mosca do pêssego, Bactrocera zonata, é uma importante praga das frutas e produtos hortícolas no Sudeste Asiático e Pacífico. As estratégias de controle de moscas-das-frutas, que se baseia principalmente no uso de inseticidas, têm consequências ambientais graves, perturbando o agroecossistema, bem como eliminando os inimigos naturais. Este estudo foi orientado a explorar as potencialidades dos extratos de açafrão Curcuma longa para controle de B. zonata. Após a emergência, adultos de fêmeas de B. zonata foram continuamente alimentados, durante 16 dias, com dieta contendo 1000, 500 e 250 ppm de extrato acetônico de C. longa separadamente em gaiolas no laboratório. O extrato causou 85,00, 66,67 e 56,67 por cento de mortalidade em 1000, 500 e 250 ppm, respectivamente. As fêmeas foram acasaladas e postas para ovipositar separadamente em goiabas dentro das gaiolas. A inibição na progênie pupal foi 67,90, 60,74 e 51,96 por cento nos insetos alimentados em 1000, 500 e 250 ppm, a inibição observada na progênie adulta foi 84,68, 79,03 e 67,74 por cento, respectivamente.
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The present study is an effort to document bio-geographical distribution for Zygoptera of Pakistan. Damselflies were collected throughout the country and territory of Azad Jammu and Kashmir during 2004-2009. A total of 2692 specimens were collected yielding 9 families, 21 genera, and 48 species and subspecies. Three of these species, Libellago lineata lineata (Burmeister), Elattoneura atkinsoni (Selys), and Elattoneura souteri (Fraser), are recorded for the first time from Pakistan. Distribution, habitats, previous records, and Zoogeographic affiliation for all collected taxa are discussed. Help was also taken from published literature on Zygoptera of Pakistan, and specimens housed at National Insect Museum were also studied. In total, 53 species are accounted for providing an updated record for all modern taxa of damselfly fauna of Pakistan.
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Biodiversidad , Insectos/clasificación , Animales , Femenino , Masculino , PakistánRESUMEN
The present biogeographic distribution of tiger beetle fauna is an attempt to register all modern taxa from Pakistan. It includes 55 taxa under 14 genera and 11 subgenera. Three species, Cylindera (Eriodera) albopunctata (Chaudoir 1852), Cicindela viridilabris (Chaudoir 1852) and Neocollyris (Neocollyris) redtenbacheri (Horn 1894) are recorded from Pakistan for the first time.