Synthesis, Characterization & Antimicrobial Evaluation of New bis(5-Biphenyl-3-alkoxyphenyl-4,5-dihydro-1H-pyrazole-N-carbothioamide) Derivatives

2020 ◽  
Vol 5 (1) ◽  
pp. 77-83
Author(s):  
Shehneela Nisa ◽  
Mohamad Yusuf
Keyword(s):  
13C Nmr ◽  
Ring Closure ◽  
Fungal Strains ◽  
Esi Ms ◽  
Antimicrobial Evaluation ◽  
Antimicrobial Assay ◽  
Tube Dilution

In this study, a series of new symmetrical N-carbothioamide substituted bispyrazolines (2a-f) had been systematically synthesized by using ring closure reactions of bischalcones (1a-f) with thiosemicarbazide under the alkaline-alcoholic conditions. The structures of bisheterocyclic products have been fully characterized on the basis of their IR, 1H & 13C NMR and ESI-MS spectral strategies. All the prepared compounds were also evaluated for their in vitro antimicrobial assay with the help of serial tube dilution procedure against the selected numbers of microbes (seven bacterial and five fungal strains). The most of the synthesized bisheterocycles exhibited noticeable antimicrobial potencies against the tested strains

Synthesis, Characterization and Antimicrobial Evaluation of Novel Dimethyl Triazene Incorporated Phenylamino Pyrimidine Derivatives

2021 ◽  
Vol 6 (3) ◽  
pp. 211-216
Author(s):  
Vidhya V. Jadvani ◽  
Yogesh T. Naliapara
Keyword(s):  
Antimicrobial Activity ◽  
1H Nmr ◽  
13C Nmr ◽  
Pyrimidine Derivatives ◽  
In Vitro Antimicrobial Activity ◽  
Fungal Strains ◽  
Elemental Analyses ◽  
Antimicrobial Evaluation ◽  
Hydro Chloride

A series of novel (E)-4-(4-(3,3-dimethyltriaz-1-en-1-yl)phenyl)-N-phenylpyrimidin-2-amine derivatives have been synthesized from the condensation of (E)-3-(dimethylamino)-1-(4-(E)-3,3-dimethyltriaz- 1-en-1-yl)phenyl)prop-2-en-1-one with several guanidinium hydro-chloride. The newly synthesized compounds were examined for in vitro antimicrobial activity against some antibacterial and fungal strains. The synthesized compounds were characterized by 1H NMR, 13C NMR, IR, mass and elemental analyses.

Synthesis and antimicrobial evaluation of isoxazole-substituted 1,3,4-oxadiazoles

2018 ◽  
Vol 24 (5) ◽  
pp. 285-292 ◽  
Author(s):  
Srinivas Marri ◽  
Ramu Kakkerla ◽  
Mudumba Phali Surya Murali Krishna ◽  
Manchikatla Venkat Rajam
Keyword(s):  
Antimicrobial Activity ◽  
Good Activity ◽  
Fungal Strains ◽  
Antimicrobial Evaluation

Abstract Synthesis of N-(5-methylisoxazol-3-yl)-2-(5-aryl-1,3,4-oxadiazol-2-yl)acetamides 5a–k was achieved from readily available materials. The compounds were screened for their in vitro antimicrobial activity against representative bacterial and fungal strains. Compounds 5b, 5d and 5f exhibit good activity.

Synthesis and Antimicrobial Evaluation of 2-(Substituted-phenyl)-3-(4-(4- Nitrophenyl)Thiazol-2-yl)Thiazolidin-4-One Derivatives

2019 ◽  
Vol 15 (1) ◽  
pp. 114-119 ◽  
Author(s):  
Rakesh Kumar ◽  
Shailendra Patil
Keyword(s):  
Antimicrobial Activity ◽  
Antimicrobial Agents ◽  
Public Health Issue ◽  
E Coli ◽  
Gram Positive Bacteria ◽  
Microbial Infections ◽  
Antimicrobial Evaluation ◽  
Potential Antimicrobial Activity ◽  
Tube Dilution

Background:Diseases caused by microbial infections are very common worldwide. Although the search of innovative antimicrobial agents is the current focus for the researchers, the treatment of infectious diseases remains an important public health issue and a challenging problem in front of medicinal chemist.Methods:A series of 2-(4-hydroxyphenyl)-3-(4-(4-nitrophenyl) thiazol-2-yl)thiazolidin-4-one derivatives (T1-T10) was designed and synthesized. All the titled compounds were evaluated for their antimicrobial potential. Antimicrobial activity was performed by tube dilution methods against Gram negative Escherichia coli MTCC 443 (E. Coli), Gram positive bacteria: Staphylococcus aureus MTCC 3160 (S. aureus) and Bacillus subtilis MTCC 441 (B. Subtilis), and fungal strains: Aspergillus niger MTCC 281 (A. niger) and Candida albicans MTCC 227 (C. albicans).Results:Among the synthesized derivatives, compounds 2, 4 and 10 were found to be most active antimicrobial agents.Conclusion:In conclusion, a series of 2-(phenyl)-3-(4-(phenyl)thiazol-2-yl)thiazolidin-4-ones have been designed and synthesized. All the titled compounds were evaluated for their in vitro antimicrobial activity against five representative microorganisms. The results of antimicrobial study indicated that the presence of nitro and chloro groups in aromatic ring improved antibacterial activity, whereas the presence of hydroxy group improved antifungal activity of substituted 4-thiazolidinone derivatives.

scholarly journals Σχεδιασμός και σύνθεση πεπτιδομιμητικών μορίων με βάση το τριμοριακό σύμπλοκο MHC-πεπτίδιο-TCR

2016 ◽  
Author(s):  
Μαίρη-Πατρίτσια Γιαννακάκη
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Esi Ms

Η Σκλήρυνση Κατά Πλάκας (ΣΚΠ) είναι μια ανοσολογικά ελεγχόμενη, φλεγμονώδης, απομυελινωτική ασθένεια, η οποία χαρακτηρίζεται από καταστροφή τη μυελίνης του Κεντρικού Νευρικού Συστήματος (ΚΝΣ) που οδηγεί σε σοβαρές παθολογικές καταστάσεις και παράλυση. Η κύρια αιτία της νόσου δεν έχει διευκρινιστεί, με επικρατέστερη θεωρία εμφάνισής της, εκείνη της αυτοανοσίας η οποία περιλαμβάνει το σχηματισμό του τριμοριακού συμπλόκου μεταξύ του Μείζονος Συστήματος Ιστοσυμβατότητας [MHC (HLA)], ανοσοκυρίαρχων επιτόπων των πρωτεϊνών της μυελίνης και του Υποδοχέα των Τ-κυττάρων (TCR). Στην παρούσα διατριβή, πραγματοποιήθηκε λεπτομερής χαρτογράφηση των αλληλεπιδράσεων που λαμβάνουν χώρα κατά τη δημιουργία του τριμοριακού συμπλόκου HLA- πεπτιδίου αντιγόνο-TCR, η οποία θα μπορούσε να δώσει τα απαραίτητα χαρακτηριστικά για τον ορθολογικό σχεδιασμό αναστολέων. Επίσης πραγματοποιήθηκε διαμορφωτική μελέτη του τριμοριακού συμπλόκου χρησιμοποιώντας ως πεπτίδιο-αντιγόνο τον επίτοπο ΜΒΡ83-96, καθώς έχει βρεθεί ότι αναγνωρίζεται σε μεγάλο ποσοστό από κύτταρα ασθενών με ΣΚΠ, ενώ χρησιμοποιήθηκαν οι υποδοχείς HLA και TCR από κρυσταλλογραφικά δεδομένα (pdb: 1YMM). Κύριος στόχος ήταν ο ορθολογικός σχεδιασμός πεπτιδομιμητικών μορίων τα οποία θα ενώνονται με τον υποδοχέα TCR, χωρίς να δεσμεύονται με τον HLA. Οι νέες ενώσεις σχεδιάστηκαν με σκοπό να εμποδίσουν τη δημιουργία του τριμοριακού συμπλόκου και συνεπώς να αναστείλουν τον περαιτέρω πολλαπλασιασμό και ενεργοποίηση των εγκεφαλιτογόνων Τ-κυττάρων που εμπλέκονται στη ΣΚΠ. Για τη μελέτη, έγινε σχεδιασμός του φαρμακοφόρου μοντέλου με βάση τον επίτοπο MBP83-96, πραγματοποιήθηκαν πειράματα i) μοριακής πρόσδεσης (docking), ii) προσομοιώσεις μοριακής δυναμικής (dynamics) καθώς κ iii) πειράματα κβαντικής μηχανικής/ μοριακής μηχανικής (QM/MM) για να προβλέψουμε τις πιθανές αλληλεπιδράσεις των αναλόγων με τον υποδοχέα TCR. Χρησιμοποιήθηκαν τα λογισμικά πρόγραμμα ΜΟΕ, AMBER, MOPAC και Gaussian σε λογισμικό περιβάλλον LINUX. Ακολούθησε η σύνθεση των προτεινόμενων αναλόγων, η ταυτοποίηση των οποίων έγινε με ESI-MS, 1H-NMR καθώς και 13C-NMR. Τα συντιθέμενα ανάλογα, δοκιμάστηκαν σε in vitro πειράματα με σκοπό την αξιολόγησή τους ως αναστολείς ενεργοποίησης των εγκεφαλιτογόνων Τ-κυττάρων.

scholarly journals Green Synthetic Protocol for (E)-1-Aryl-3-(2-morpholinoquinolin- 3-yl)prop-2-en-1-ones and Their Antimicrobial Activity

2019 ◽  
Vol 31 (9) ◽  
pp. 1895-1898
Author(s):  
Relangi Siva Subrahmanyam ◽  
Venkateswara Rao Anna
Keyword(s):  
Antimicrobial Activity ◽  
Spectral Data ◽  
1H Nmr ◽  
13C Nmr ◽  
Mass Spectral Data ◽  
In Vitro Antimicrobial Activity ◽  
Mass Spectral ◽  
Fungal Organisms

We report here an easy, efficient and green synthetic protocol for the (E)-1-aryl-3-(2-morpholinoquinolin-3-yl)prop-2-en-1-ones by the Claisen-Schmidt condensation of 2-morpholinoquinoline-3-carbaldehyde and different substituted acetophenones by using 1-butyl-3-methylimidazolium tetrafluoroborate (Bmim)BF4. The compounds were characterized by using 1H NMR, 13C NMR and mass spectral data and screened there in vitro antimicrobial activity against different bacterial and fungal organisms.

scholarly journals Pharmacoinformatics and UPLC-QTOF/ESI-MS-Based Phytochemical Screening of Combretum indicum against Oxidative Stress and Alloxan-Induced Diabetes in Long–Evans Rats

Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4634
Author(s):  
Md. Shaekh Forid ◽  
Md. Atiar Rahman ◽  
Mohd Fadhlizil Fasihi Mohd Aluwi ◽  
Md. Nazim Uddin ◽  
Tapashi Ghosh Roy ◽  
...  
Keyword(s):  
Blood Glucose ◽  
Immune Modulation ◽  
Computational Study ◽  
Density Lipoprotein ◽  
Control Group ◽  
Esi Ms ◽  
Long Evans ◽  
Antidiabetic Effects

This research investigated a UPLC-QTOF/ESI-MS-based phytochemical profiling of Combretum indicum leaf extract (CILEx), and explored its in vitro antioxidant and in vivo antidiabetic effects in a Long–Evans rat model. After a one-week intervention, the animals’ blood glucose, lipid profile, and pancreatic architectures were evaluated. UPLC-QTOF/ESI-MS fragmentation of CILEx and its eight docking-guided compounds were further dissected to evaluate their roles using bioinformatics-based network pharmacological tools. Results showed a very promising antioxidative effect of CILEx. Both doses of CILEx were found to significantly (p < 0.05) reduce blood glucose, low-density lipoprotein (LDL), and total cholesterol (TC), and increase high-density lipoprotein (HDL). Pancreatic tissue architectures were much improved compared to the diabetic control group. A computational approach revealed that schizonepetoside E, melianol, leucodelphinidin, and arbutin were highly suitable for further therapeutic assessment. Arbutin, in a Gene Ontology and PPI network study, evolved as the most prospective constituent for 203 target proteins of 48 KEGG pathways regulating immune modulation and insulin secretion to control diabetes. The fragmentation mechanisms of the compounds are consistent with the obtained effects for CILEx. Results show that the natural compounds from CILEx could exert potential antidiabetic effects through in vivo and computational study.

scholarly journals Synthesis and In Vitro Antimicrobial Evaluation of Photoactive Multi—Block Chalcone Conjugate Phthalimide and 1,8-Naphthalimide Novolacs

Polymers ◽  
2021 ◽  
Vol 13 (11) ◽  
pp. 1859
Author(s):  
Periyan Durairaju ◽  
Chinnasamy Umarani ◽  
Govindasami Periyasami ◽  
Perumberkandigai Adikesavan Vivekanand ◽  
Mostafizur Rahaman
Keyword(s):  
Spectroscopic Analysis ◽  
Photophysical Properties ◽  
Gel Permeation Chromatography ◽  
13C Nmr Spectroscopy ◽  
Antimicrobial Activities ◽  
Microbial Activities ◽  
E Coli ◽  
Molecular Weights ◽  
Antimicrobial Evaluation

Herein we report new multiblock chalcone conjugate phthalimide and naphthalimide functionalized copolymers with a topologically novel architecture synthesis using nucleophilic substitution and polycondensation methodology. The structures of the synthesized novolacs were elucidated on the basis of their spectroscopic analysis including FTIR, 1H NMR, and 13C NMR spectroscopy. Further, the number-average and weight-average molecular weights of the novolac polymers were determined by gel permeation chromatography (GPC). We examined the solubility of the synthesized polymers in various organic solvents including CHCl3, CH3CN, THF, H2O, CH3OH, DMSO, and DMF and found they are insoluble in both methanol and water. The novolac polymers were evaluated for their photophysical properties and microbial activities. The investigation of the antimicrobial activities of these polymers reveals significant antimicrobial activity against the pathogens E. coli, S. aureus, C. albicans, and A. niger.

1H, 13C NMR, FT-IR, ESI-MS and PM5 semiempirical study of new lasalocid ester with 3-(methylthio)-1-propanol and its complexes with monovalent cations

2007 ◽  
Vol 829 (1-3) ◽  
pp. 120-127 ◽  
Author(s):  
Radosław Pankiewicz ◽  
Grzegorz Schroeder ◽  
Bogumił Brzezinski
Keyword(s):  
13C Nmr ◽  
Monovalent Cations ◽  
Esi Ms ◽  
Ft Ir

Antioxidant, antimicrobial, and molecular docking studies of novel chalcones and Schiff bases bearing 1, 4-naphthoquinone moiety

2021 ◽  
Vol 19 ◽  
Author(s):  
Nadia Ali Ahmed Elkanzi ◽  
Hajer Hrichi ◽  
Rania B. Bakr
Keyword(s):  
Molecular Docking ◽  
Schiff Bases ◽  
Active Sites ◽  
Radical Scavenging ◽  
Docking Studies ◽  
Antimicrobial Compounds ◽  
Molecular Docking Studies ◽  
Fungal Strains ◽  
Chemical Structures

Background: The 1,4-naphthoquinone ring has attracted prominent interest in the field of medicinal chemistry due to its potent pharmacological activity as antioxidant, antibacterial, antifungal, and anticancer. Objective: Herein, a series of new Schiff bases (4-6) and chalcones (8a-c & 9a-d) bearing 1,4-naphthoquinone moiety were synthesized in good yields and were subjected to in-vitro antimicrobial, antioxidant, and molecular docking testing. Methods: A facile protocol has been described in this study for the synthesis of new derivatives (4-7, 8a-c, and 9a-d) bearing 1,4-naphthoquinone moiety. The chemical structures of all the synthesized compounds were identified by 1H-NMR, 13C-NMR, MS, and elemental analyses. Moreover, these derivatives were assessed for their in-vitro antimicrobial activity against gram-positive, gram-negative bacteria, and fungal strains. Further studies were conducted to test their antioxidant activity using DPPH (2,2-diphenyl-1-picrylhydrazyl) scavenging assay. Molecular docking studies were realized to identify the most likely interactions of the novel compounds within the protein receptor. Results: The antimicrobial results showed that most of the compounds displayed good efficacy against both bacterial and fungal strains. The antioxidant study revealed that compounds 9d, 9a, 9b, 8c, and 6 exhibited the highest radical scavenging activity. Docking studies of the most active antimicrobial compounds within GLN- 6-P, recorded good scores with several binding interactions with the active sites. Conclusion: Based on the obtained results, it was found that compounds 8b, 9b, and 9c displayed the highest activity against both bacterial and fungal strains. The obtained findings from the DPPH radical scavenging method revealed that compounds 9d and 9a exhibited the strongest scavenging potential. The molecular docking studies proved that the most active antimicrobial compounds 8b, 9b and 9c displayed the highest energy binding scores within the glucosamine-6-phosphate synthase (GlcN-6-P) active site.

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