Prospective Phycocompounds for Developing Therapeutics for Urinary Tract Infection.

Antibiotic resistance of bacteria is causing clinical and public health concerns that are challenging to treat. Infections are becoming more common in the present era, and patients admitted to hospitals often have drug-resistant bacteria that can spread nosocomial infections. Urinary tract infections (UTIs) are among the most common infectious diseases affecting all age groups. There has been an increase in the proportion of bacteria that are resistant to multiple drugs. Herein is a comprehensive update on UTI-associated diseases: cystitis, urethritis, acute urethral syndrome, pyelonephritis, and recurrent UTIs. Further emphasis on the global statistical incidence and recent advancement of the role of natural products in treating notorious infections are described. This updated compendium will inspire the development of novel phycocompounds as the prospective antibacterial candidate.

Dihydropyrimidinones as potent anticancer agents: Insight into the structure-activity relationship.

Cancer is a serious disease that has been around for a long time but currently has no sustainable solution. Several medications currently available offer an opportunity for the manifestation of cancer treatment; however, the "search for better" has led to the development and study of a variety of new scaffolds. Dihydropyrimidinones (DHPMs) are a privileged scaffold, prominent for their versatile range of biological activities. In recent years, the anticancer potential of these unsaturated pyrimidine ring systems has been traversed, along with their synthesis methods and the interlinked mechanisms leading to the anticancer activity. This review summarizes the structure-activity relationship of DHPMs as potential anticancer agents. This study is a short review of their synthesis, mechanism of action, and structure-activity relationships (SARs) that are answerable for the anticancer activity of DHPMs and have been thoroughly researched and assessed.

Investigation of in vitro antimicrobial, antioxidant and antiproliferative activities of Nostoc calcicola biosynthesized gold nanoparticles.

The cyanobacteria are the promising candidate for synthesizing gold nanoparticles (AuNPs), due to their ability to accumulate heavy metals from the cellular environment and additionally contain varied bioactive compounds as reducing and stabilizing agents. This study describes the N2-fixing cyanobacterium Nostoc calcicola-mediated bioreduction of AuNPs and the inherent antimicrobial, antioxidant, and antiproliferative activities in vitro. Biosynthesized Nc-AuNPs were characterized by spectral characterization techniques. The formation of AuNPs was physically confirmed by the colour change from pale green to dark violet. The UV-Vis analysis, further, proved the reduction in Nc-AuNPs with the cyanobacterium and showed a spectral peak at 527 nm. FESEM-EDX images suggested the surface morphology of the NPs as spherical, cuboidal, and size between 20 and 140 nm. The antimicrobial studies of Nc-AuNPs were carried out by agar-well diffusion method and MIC values against five pathogenic bacterial and two fungal strains were noted. The AuNPs exhibited potential antimicrobial activity against h-pathogenic bacteria with inhibitory zones ranging at 11-18 mm; against fungi ranging at 13-17 mm. Significant antioxidant potentialities were explored by a DPPH assay with an IC50 value of 55.97 µg/ mL. Furthermore, in the anticancer efficacy assay, the Nc-AuNPs inhibited cellular proliferation in human breast adenocarcinoma and cervical cancer cell lines at IC50 concentration, 37.3 µg/ml, and 44.5 µg/ml, respectively. Conclusively, N. calcicola would be an excellent source for synthesizing stable colloidal AuNPs that had significant credibility as phycological (algal) nanomedicines as novel prodrugs with multiple bioactivities.

Isolation, biosynthesis and antimicrobial activity of gold nanoparticles produced with extracts of Anabaena spiroides.

Multidrug-resistant (MDR) pathogenic bacteria have become dangerous in bringing sporadic outbreaks in public health and nosocomial spreads from the addition of antibacterials/antibiotics continually. Obviously, the pharmacy world is in search of antibacterials that would be invincible by the evolved bacteria. Green synthesis of gold-nanoparticles (AuNps) was focused on the use of aqueous chloroauric acid (HAuCl4) and cell-free aqueous extract of the N2-fixing cyanobacterium (blue-green alga) Anabaena spiroides collected from a brackish-water, Bay of Bengal at Puri, Odisha; green-synthesized AuNps could be used as antibacterials against MDR bacteria. The synthesized AuNps were subjected to the following characterizations, UV-Vis spectrophotometry, SEM-EDX, XRD and ART-FTIR analysis. An absorption peak at 538 nm by UV-Vis spectrophotometry and the FTIR analysis confirmed the presence of AuNps. A. spiroides-AuNps were monitored for antibacterial activities against MDR pathogenic bacterial strains isolated from clinical samples, namely, Klebsiella oxytoca, MRSA and Streptococcus pyogenes, in vitro; the individual antibiograms of those bacteria were known. The recorded MIC dose values were 25, 20 and 30 mg A. spiroides-AuNps (As-AuNps) against K. oxytoca, MRSA and S. pyogenes, in vitro, respectively. Thus, As-AuNps bear promises as possible antibacterials, in future.

The recent development of thymol derivative as a promising pharmacological scaffold.

Thymol (a phenol ring bearing active phytoconstituent) is a privileged scaffold, which is diversified in natural sources. This scaffold acts as an obligatory template for scheming and arriving at designing some newer drug-molecules with potential biological activities. In the pharmacological perspective, the promising active sites of the scaffold are the positions C-1, C-4, and C-6 of thymol that would be accountable for developing potent drug candidates. This review aims to explore the various synthetic routes and the structural-activity relationship of thymol scaffold with suitable active pharmacophore sites.

Targeting Some Enzymes with Repurposing Approved Pharmaceutical Drugs for Expeditious Antiviral Approaches Against Newer Strains of COVID-19.

At present, global vaccination for the SARS-CoV2 virus 2019 (COVID-19) is 95% effective. Generally, viral infections are arduous to cure due to the mutating nature of viral genomes, with the consequent quick development of resistance, posing significant fatalities or hazards. The novel corona viral strains are increasingly lethal than earlier variants, as those evolve faster than imagined. Despite the emergence of several present innovative treatment options, the vaccines, and available drugs, the latter still are the needs of the time. Therefore, repurposing the approved pharmaceutical drugs of a well-known safety profile would be ascertained to provide faster antiviral approaches for the newer strains of COVID-19. Recently, a combination of remdesivir, which has a competitively inhibitory effect on the nucleotide uptake in the virus, and the merimepodibs, an inhibitor of the enzyme inosine monophosphate dehydrogenase, which has a role in the synthesis of nucleotides of guanine bases, is in use in phase 2 clinical trials. However, new investigations suggest that using remdesivir, there is no statistically significant difference with uncertain clinical importance for moderate COVID-19 patients. Herein, an intellectual selection of approved drugs based on the safety profile is described, to target any essential enzymes that are required for the virus-receptor contact, fusion, and/or different stages of the life cycle of this virus, should help to screen drugs against newer strains of COVID-19.Graphical abstract.

Radiological significance of high-resolution computed tomography for elderly pulmonary tuberculosis patients - an analysis with culture test.

PURPOSE: Pulmonary tuberculosis (PTB) is one of the major health problems in the elderly population, causing significant morbidity and mortality. The aim of this study is to evaluate the significance of the high-resolution computed tomography (HRCT) modality for the diagnosis of PTB, in comparison to culture test. MATERIAL AND METHODS: Thoracic HRCT images of the study population, comprising 124 patients clinically suspected for PTB with smear and culture reports, were analysed for sensitivity and specificity of the HRCT test. Features of active PTB were centrilobular nodules, 'tree-in-bud' pattern densities, macro-nodules, consolidations, cavitary lesions, ground-glass opacities, and miliary nodules. RESULTS: Among the study population, 108 cases presented HRCT features of active PTB and the remaining cases were negative but had presented a few features mimicking PTB. As inferred from positive culture test results, 106 cases had active PTB, the remaining cases were culture negative for PTB. False-positive (FP) or 'type I error' cases, and false-negative (FN) or 'type II error' cases were ascertained by Bayes' theorem. Sensitivity (true positive rate) and specificity (true negative rate) of HRCT test were 0.8125 and 0.8571, respectively. CONCLUSIONS: For proper diagnosis the predictive capability, as two values of 'a posteriori probability', was computed; the mean value of 'a posteriori probability' for HRCT was 0.6358. When its culture test was positive, the HRCT test was 69.56-92.85% efficient in ascertaining positive results with a sample; on the other hand, when its culture test was negative it was 66.66-100% efficient for a negative result. Thus, the HRCT test is considerably dependable.

Computational study on Schiff base derived salicylaldehyde and furfuraldehyde derivatives as potent anti-tubercular agents: prospect to dihydropteroate synthase inhibitors.

Nowadays, bacterial multidrug resistance has become a commonplace problem in clinics due to several intrinsic factors mediated through resistance to antibacterials obtained via bacterial consortia and extrinsic factors, such as non-uniform antibacterial policy and migration of resistant bacteria through human and other routes. The development of newer, effective anti-mycobacterial candidate(s) is coveted by clinics. Hybrid molecules would be comparatively more emulating against invasive bacterial strains; nevertheless, newer antibiotics are continually added. Herein, designing and developments of two series of Schiff-based salicylaldehyde S1-S7 and furfuraldehyde F1-F7 molecules individually bearing sulfonamide group are described; and those were synthesized and their structures by spectral characterization were confirmed. Concomitantly, molecule dynamic simulations of all atoms had been performed to fathom the mechanism of the action with these leading complexes. These data imply that the synthesized Schiff-based salicylaldehyde hybrids would be promising anti-tubercular compounds, which further need potent pharmacological evaluations.Communicated by Ramaswamy H. Sarma.

Nanosynthesis, phycochemical constituents, and pharmacological properties of cyanobacterium Oscillatoria sp.

The Oscillatoria sp., a blue-green alga or cyanobacterium, consists of about 305 species distributed globally. Cyanobacteria are prokaryotes possessing several secondary metabolites that have industrial and biomedical applications. Particularly, the published reviews on Oscillatoria sp. have not recorded any pharmacology, or possible details, while the detailed chemical structures of the alga are reported in the literature. Hence, this study considers pertinent pharmacological activities of the plethora of bioactive components of Oscillatoria sp. Furthermore, the metallic nanoparticles produced with Oscillatoria sp. were documented for plausible antibacterial, antifungal, antioxidant, anticancer, and cytotoxic effects against several cultured human cell lines. The antimicrobial activities of solvent extracts of Oscillatoria sp. and the biotic activities of its derivatives, pyridine, acridine, fatty acids, and triazine were structurally described in detail. To understand the connotations with research gaps and provide some pertinent prospective suggestions for further research on cyanobacteria as potent sources of pharmaceutical utilities, attempts were documented. The compounds of Oscillatoria sp. are a potent source of secondary metabolites that inhibit the cancer cell lines, in vitro. It could be expected that by holistic exploitation, the natural Oscillatoria products, as the source of chemical varieties and comparatively more potent inhibitors, would be explored against pharmacological activities with the integument of SARs.

Structure based exploration of mitochondrial alpha carbonic anhydrase inhibitors as potential leads for anti-obesity drug development.

BACKGROUND: Obesity has emerged as a major health challenge globally in the last two decades. Dysregulated fatty acid metabolism and de novo lipogenesis are prime causes for obesity development which ultimately trigger other co-morbid pathological conditions thereby risking life longevity. Fatty acid metabolism and de novo lipogenesis involve several biochemical steps both in cytosol and mitochondria. Reportedly, the high catalytically active mitochondrial carbonic anhydrases (CAVA/CAVB) regulate the intercellular depot of bicarbonate ions and catalyze the rapid carboxylation of pyruvate and acetyl-co-A to acetyl-co-A and malonate respectively, which are the precursors of fatty acid synthesis and lipogenesis. Several in vitro and in vivo investigations indicate inhibition of mitochondrial carbonic anhydrase isoforms interfere in the functioning of pyruvate, fatty acid and succinate pathways. Targeting of mitochondrial carbonic anhydrase isoforms (CAVA/CAVB) could thereby modulate gluconeogenetic as well as lipogenetic pathways and pave way for designing of novel leads in the development pipeline of anti-obesity medications. METHODS: The present review unveils a diverse chemical space including synthetic sulphonamides, sulphamates, sulfamides and many natural bioactive molecules which selectively inhibit the mitochondrial isoform CAVA/CAVB with an emphasis on major state-of-art drug design strategies. RESULTS: More than 60% similarity in the structural framework of the carbonic anhydrase isoforms has converged the drug design methods towards the development of isoform selective chemotypes. While the benzene sulphonamide derivatives selectively inhibit CAVA/CAVB in low nanomolar ranges depending on the substitutions on the phenyl ring, the sulpamates and sulpamides potently inhibit CAVB. The virtual screening and drug repurposing methods have also explored many non-sulphonamide chemical scaffolds which can potently inhibit CAVA. CONCLUSION: The review could pave way for the development of novel and effective anti-obesity drugs which can modulate the energy metabolism.

Biosynthesis and characterisations of silver nanoparticles with filamentous cyanobacterium Lyngbya sp. with in vitro antibacterial properties against MDR pathogenic bacteria.

This study describes phycocompounds of the non-N2-fixing filamentous cyanobacterium Lyngbya sp., which has potential bio-reducing and stabilizing heavy metal-accumulating properties for synthesizing silver nanoparticles (AgNPs), whose formation was confirmed by the colour change of the Lyngbya sp.-AgNP solution from pale green to deep brown. The reduction of 'Lyngbya sp.-AgNPs', called Lsp-AgNPs, was proved by UV-visible photo-spectrometry analysis with an obtained peak value at 426 nm. Lsp-AgNPs were characterised by analytical techniques, XRD, FESEM, DLS and FTIR. The XRD analysis with 5-70 theta was obtained at 2Ï´ angles ranging from 38.79º with intensity, indicating the crystal structure of Lsp-AgNPs. The FESEM analysis indicated the area size at 20-50 µm; in the DLS analysis, the peak at 400 d nm indicated the size and distribution of Lsp-AgNPs. In FTIR analysis, the peaks were obtained at wavenumbers 3338, 1639, and 542 cm-1, which indicated the presence of N-H, -OH and C=O functional groups in Lsp-AgNPs. Those had in vitro antibacterial activities against Gram-negative Escherichia coli (MTCC 443) and Pseudomonas aeruginosa (MTCC 1688) and Gram-positive Staphylococcus aureus (MTCC 7443) bacterial strains with zone of inhibitions (ZOI) of 16, 12 and 14 mm, respectively, with comparing the antibiotic gentamycin as a positive control, as was monitored with agar-well diffusion method. Furthermore, the MIC value was 50 mg/ml, and MBC values of 65 mg/ml of Lsp-AgNPs were effective against those bacteria. Thus, Lsp-AgNPs had potential antibacterial activities against MDR pathogenic S. aureus, E. coli and P. aeruginosa. In conclusion, MDR pathogenic bacteria could be controlled as prodrugs in the future.

Unveiling the antibacterial and antifungal potential of biosynthesized silver nanoparticles from Chromolaena odorata leaves.

This research investigates the biogenic synthesis of silver nanoparticles (AgNPs) using the leaf extract of Chromolaena odorata (Asteraceae) and their potential as antibacterial and antifungal agents. Characterization techniques like ultraviolet-visible, Fourier transform infrared (FTIR), Dynamic light scattering and zeta potential (DLS), X-ray diffraction (XRD), transmission electron microscopy (TEM), and field emission scanning electron microscopy and energy-dispersive X-ray spectroscopy (FESEM-EDX) confirmed the formation of spherical (AgNPs). UV-vis spectroscopy reaffirms AgNP formation with a peak at 429 nm. DLS and zeta potential measurements revealed an average size of 30.77 nm and a negative surface charge (- 0.532 mV). Further, XRD analysis established the crystalline structure of the AgNPs. Moreover, the TEM descriptions indicate that the AgNPs are spherical shapes, and their sizes ranged from 9 to 22 nm with an average length of 15.27 nm. The X-ray photoelectron spectroscopy (XPS) analysis validated the formation of metallic silver and elucidated the surface state composition of AgNPs. Biologically, CO-AgNPs showed moderate antibacterial activity but excellent antifungal activity against Candida tropicalis (MCC 1559) and Trichophyton rubrum (MCC 1598). Low MIC values (0.195 and 0.390 mg/mL) respectively, suggest their potential as effective antifungal agents. This suggests potential applications in controlling fungal infections, which are often more challenging to treat than bacterial infections. Molecular docking results validated that bioactive compounds in C. odorata contribute to antifungal activity by interacting with its specific domain. Further research could pave the way for the development of novel and safe antifungal therapies based on biogenic nanoparticles.

Recent progression of cyanobacteria and their pharmaceutical utility: an update.

Cyanobacteria (blue-green algae) are Gram-negative photosynthetic eubacteria that are found everywhere. This largest group of photosynthetic prokaryotes is rich in structurally novel and biologically active compounds; several of which have been utilized as prospective drugs against cancer and other ailments, as well. Consequently, the integument of nanoparticles-synthetic approaches in cyanobacterial extracts should increase pharmacological activity. Moreover, silver nanoparticles (AgNPs) are small materials with diameters below 100 nm that are classified into different classes based on their forms, sizes, and characteristics. Indeed, the biosynthesized AgNPs are generated with a variety of organisms, algae, plants, bacteria, and a few others, for the medicinal purposes, as the bioactive compounds of curio and some proteins from cyanobacteria have the potentiality in the treatment of a wide range of infectious diseases. The critical focus of this review is on the antimicrobial, antioxidant, and anticancer properties of cyanobacteria. This would be useful in the pharmaceutical industries in the future drug development cascades.Communicated by Ramaswamy H. Sarma.

Role of phytocompounds as the potential anti-viral agent: an overview.

Viral diseases are the most notorious infective agent(s) causing morbidity and mortality in every nook and corner for ages; viruses are active in host cells, and specific anti-virus medicines' developments remain uncanny. In this century of the biological era, human viruses act predominantly as versatile spreaders. The infection of the present COVID-19 virus is up in the air; blithely, the integument of medicinal chemistry approaches, particularly bioactive derived phytocompounds could be helpful to control those human viruses, recognized in the last 100 years. Indeed, natural products are being used for various therapeutic purposes. The major bioactive phytocompounds are chemically containing coumarin, thiosulfonate, steroid, polysaccharide, tannin, lignin, proanthocyanidin, terpene, quinone, saponin, flavonoid, alkaloid, and polyphenol, that are documented for inhibitory action against several viral infections. Mostly, about 20-30% of plants from tropical or temperate regions are known to have some antiviral activity. This comprehensive analysis of bioactive-derived phytocompounds would represent a significant impact and might be helpful for antiviral research and the current state of viral treatments.

Recent advancements on antibiotic bioremediation in wastewaters with a focus on algae: an overview.

Antibiotic contamination from hospitals, animal husbandry, and municipal wastewater is graver than imagined, and it possess serious risks to the health of humans and animals, with the emergence of multidrug resistant bacteria; those affect the growth of higher plants too. Conventional wastewater treatment methods adopted today are inadequate for removing antibiotics from wastewater. Intuitively, the remediation process using mixed algae should be effective enough, for which algae-based remediation technologies have emerged as sustainable remedial methods. This review summarized the detection of antibiotics in field water in most countries; a comprehensive overview of algae-based technologies, algal adsorption, accumulation, biodegradation, photodegradation, hydrolysis, and the use of algae-bacteria consortia for the remediation of antibiotics in wastewaters in done. Green algae namely, Chlamydomonas sp., Chlorella sp., C. vulgaris, Spyrogira sp. Scenedesmus quadricauda, S. obliquus, S. dimorphus, Haematoccus pluvialis, and Nannochlopsis sp., had been reporting have 90-100% antibiotic removal efficiency. The integration of bioelectrochemical systems and genetically engineered prokaryotic algal species offer promising avenues for improving antibiotic removal in the future. Overall, this review highlights the need for tenacious research and development of algae-based technologies to reduce antibiotic contamination in aquatic environments, for holistic good.

Recent progression on phytochemicals and pharmacological properties of the filamentous cyanobacterium Lyngbya sp.

The distribution and phytochemistry of the non-nitrogen fixing, filamentous cyanobacterium (blue-green alga) Lyngbya sp., and the inherent antimicrobial and anticancer activities of its phycochemicals as well as of the biosynthesized nanoparticles as their pharmaceutical potencies are considered. Several phycocompounds of curio, apramide, apratoxin, benderamide, cocosamides, deoxymajusculamide, flavonoids, lagunamides, lipids, proteins, amino acids, lyngbyabellin, lyngbyastatin, majusculamide, peptides, etc. were isolated from Lyngbya sp., which had a lot of potential pharmaceutical activities; those compounds had antibacterial, antiviral, antifungal, anticancer, antioxidant, anti-inflammatory, ultraviolet protectant, and other activities. Particularly, several Lyngbya phycocompounds had potent antimicrobial potencies, seen through in vitro controlling of several frequently encountered multidrug-resistant (MDR) clinically belligerent strains of pathogenic bacteria isolated from clinical samples. The aqueous extracts of Lyngbya sp. were used for the synthesis of silver and copper oxide nanoparticles, which were used in pharmacological trials too. The nanoparticles biosynthesized with Lyngbya sp. had several uses such as biofuel, agro-based applications, in cosmetics, and industrial uses as biopolymers, and being potent antimicrobial and anticancer agents and in drug-delivery too, as medical applications. It could be concluded that the Lyngbya phycochemicals and the biosynthesized nanoparticles have future uses as antimicrobial namely as bacterial and fungal and anti-cancer agents, with promising medical and industrial uses.

Insight to biotechnological utility of phycochemicals from cyanobacterium Anabaena sp.: An overview.

Cyanobacteria (blue-green algae) are well-known for the ability to excrete extra-cellular products, as a variety of cyanochemicals (phycocompounds) of curio with several extensive therapeutic applications. Among these phycocompound, the cyanotoxins from certain water-bloom forming taxa are toxic to biota, including crocodiles. Failure of current non-renewable source compounds in producing sustainable and non-toxic therapeutics led the urgency of discovering products from natural sources. Particularly, compounds of the filamentous N2-fixing Anabaena sp. have effective antibacterial, antifungal, antioxidant, and anticancer properties. Today, such newer compounds are the potential targets for the possible novel chemical scaffolds, suitable for mainstream-drug development cascades. Bioactive compounds of Anabaena sp. such as, anatoxins, hassallidins and phycobiliproteins have proven their inherent antibacterial, antifungal, and antineoplastic activities, respectively. Herein, the available details of the biomass production and the inherent phyco-constituents namely, alkaloids, lipids, phenols, peptides, proteins, polysaccharides, terpenoids and cyanotoxins are considered, along with geographical distributions and morphological characteristics of the cyanobacterium. The acquisitions of cyanochemicals in recent years have newly addressed several pharmaceutical aliments, and the understanding of the associated molecular interactions of phycochemicals have been considered, for plausible use in drug developments in future.

Role of hormone receptors and HER2 as prospective molecular markers for breast cancer: An update.

This review provides an updated account on the current methods, principles and mechanism of action of therapies for the detection of molecular markers of therapeutic importance in the prognosis of breast cancer progression and recurrence, which includes estrogen receptor (ER), progesterone receptor (PR) and human epidermal growth factor receptor2 (HER2). Indeed, hormone-receptors namely, ER, PR, proto-oncogene HER2 are the basic molecular markers that are recognized and established prognostic factors and predictors of response, for therapeutic practice. These markers can be detected by using immunohistochemistry (IHC) and fluorescence in situ hybridization (FISH), which are established, faster and cost effective detection methods. These molecular markers along with clinicopathological prognostic parameters give the best prediction of the prognosis of cancer recurrence and progress. Finally, hormone receptors and HER2 as molecular markers are of prime therapeutic importance and have the capability to take part in future drug development techniques.

Biomedical Applications of Biosynthesized Gold Nanoparticles from Cyanobacteria: an Overview.

Recently there had been a great interest in biologically synthesized nanoparticles (NPs) as potential therapeutic agents. The shortcomings of conventional non-biological synthesis methods such as generation of toxic byproducts, energy consumptions, and involved cost have shifted the attention towards green syntheses of NPs. Among noble metal NPs, gold nanoparticles (AuNPs) are the most extensively used ones, owing to the unique physicochemical properties. AuNPs have potential therapeutic applications, as those are synthesized with biomolecules as reducing and stabilizing agent(s). The green method of AuNP synthesis is simple, eco-friendly, non-toxic, and cost-effective with the use of renewable energy sources. Among all taxa, cyanobacteria have attracted considerable attention as nano-biofactories, due to cellular uptake of heavy metals from the environment. The cellular bioactive pigments, enzymes, and polysaccharides acted as reducing and coating agents during the process of biosynthesis. However, cyanobacteria-mediated AuNPs have potential biomedical applications, namely, targeted drug delivery, cancer treatment, gene therapy, antimicrobial agent, biosensors, and imaging.

Design, molecular docking study of synthesised N-heteroaryl substituted gallamide derivatives and their antibacterial assessment.

A series of N-heteroaryl substituted Gallamide derivatives 3a-3g were synthesised and the obtained structures were further confirmed by different spectral studies. For in-vitro antibacterial activity, the synthesised compounds were evaluated against three UTI (Urinary Tract Infection) bacterial strains including Staphylococcus aureus, Escherichia coli, and Streptococcus pyogenes. Furthermore, the designed compounds were docked with bacterial DNA gyrase and dihydropteroate synthase. All the compounds had shown good inhibition against S. aureus whereas compound 3e has produced significant inhibition at 28 and 26 mm against S.aureus and E.coli, respectively. The MIC value of the conjugate 3e and 3d was 3.12 and 6.25 µg/mL against S. aureus andE.coli, respectively. Compound 3,4,5-trihydroxy-N-(4-(N-(5-methyl isoxazol-3-yl) sulfamoyl) phenyl)benzamide 3d had shown the highest binding energy against both the targets along with good antibacterial action.