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1.
J Coll Physicians Surg Pak ; 34(7): 761-766, 2024 Jul.
Article in English | MEDLINE | ID: mdl-38978236

ABSTRACT

OBJECTIVE: To compare the knowledge accuracy of ChatGPT-4 and Google Bard in response to knowledge-based questions related to orthodontic diagnosis and treatment modalities. STUDY DESIGN: Cross-sectional comparative study. Place and Duration of the Study: Department of Orthodontics, Rawal Institute of Health Sciences, Islamabad, Pakistan, from June 23rd to August 30th 2023. METHODOLOGY: A comprehensive content analysis was designed based on a mini implant-assisted rapid palatal expansion (MARPE), clear aligners (CA), and cone beam computed tomography (CBCT), involving 30 questions for each category (total = 90) derived from recent review articles. Questions were prepared and presented to two large language models (LLMs): Google Bard and ChatGPT-4. Two independent raters evaluated the accuracy of the responses using a scoring system ranging from one to five, by comparing the answers to a standard key. Statistical analyses, including the paired sample t-test, were used to assess the performance of the two language models. RESULTS: GPT-4 demonstrated superior performance, outperforming Google Bard significantly in the MARPE, CBCT, and CA categories, and achieved a higher mean score. A p-value was found to be (p = 0.001) for MARPE and CBCT, while it was (p = 0.013) for CA. Overall, GPT-4 achieved a total score of 92.6%, surpassing Google Bard's which was 72%. CONCLUSION: GPT-4 is more efficient than Google Bard in providing accurate and up-to-date information regarding recent trends in orthodontic treatment modalities. KEY WORDS: Aligners, Cone beam computed tomography, ChatGPT-4, Google Bard, Mini implant-assisted rapid palatal expansion.


Subject(s)
Cone-Beam Computed Tomography , Orthodontics , Humans , Cross-Sectional Studies , Pakistan , Artificial Intelligence , Palatal Expansion Technique
2.
Pak J Pharm Sci ; 32(3 (Supplementary)): 1155-1162, 2019 May.
Article in English | MEDLINE | ID: mdl-31303584

ABSTRACT

Twelve derivatives of dihydropyridine derivatives (6-17) were synthesized and evaluated for in-vitro cholinesterases (AChE, BChE) inhibitory activity. All compounds showed potent activity with IC50 values between 0.21±0.003 to 147.14±0.12µM for AChE and among them five compounds showed potent activity with IC50 values 17.16±0.02 to 231.6±0.12µM for BChE when compared with standard Eserine (IC50 = 0.85±0.0001 µM (AChE) & 0.04±0.0001µM (BChE). The most potent compound 11 can be considered as potential lead compound showed an inhibition of 95.35±0.11 and IC50= 0.21±0.003 while compound 7 showed an inhibition of 83.45±0.13 and IC50= 17.16±0.02. It is concluded from structural activity relationship that the presence of nitro group at C-2 and C-4 position of dihydropyridine ring increase the acetyl cholinesterase and butyrylcholinesterase activities of these compounds while presence of -Br and -Cl also enhances the activities.


Subject(s)
Cholinesterase Inhibitors/chemical synthesis , Cholinesterase Inhibitors/pharmacology , Dihydropyridines/chemistry , Acetylcholinesterase/metabolism , Butyrylcholinesterase/metabolism , Dihydropyridines/chemical synthesis , Dihydropyridines/pharmacology , Drug Evaluation, Preclinical , Magnetic Resonance Spectroscopy , Spectroscopy, Fourier Transform Infrared , Structure-Activity Relationship
3.
Bioorg Chem ; 82: 267-273, 2019 02.
Article in English | MEDLINE | ID: mdl-30396060

ABSTRACT

Herein, substituted imidazole-pyrazole hybrids (2a-2n) were prepared via a multi component reaction employing pyrazole-4-carbaldehydes (1a-1d), ammonium acetate, benzil and arylamines as reactants. All the new compounds were characterized through their spectral and elemental analyses. Further these compounds were tested against α-glucosidase enzyme. The compounds 2k, 2l and 2n possessed good inhibition potencies, however, compounds 2f (IC50 value: 25.19 ±â€¯0.004 µM) and 2m (IC50 value: 33.62 ±â€¯0.03 µM) were the most effective compounds of the series. Furthermore, molecular docking helped to understand the binding interactions of 2f and 2m with the understudy yeast's α-glucosidase enzyme.


Subject(s)
Glycoside Hydrolase Inhibitors/chemistry , Imidazoles/chemistry , Pyrazoles/chemistry , Binding Sites , Enzyme Assays , Glycoside Hydrolase Inhibitors/chemical synthesis , Imidazoles/chemical synthesis , Molecular Docking Simulation , Molecular Structure , Pyrazoles/chemical synthesis , Saccharomyces cerevisiae/enzymology , alpha-Glucosidases/chemistry
4.
Bioorg Chem ; 77: 507-514, 2018 04.
Article in English | MEDLINE | ID: mdl-29454828

ABSTRACT

Herein, condensation of aryl(hetaryl)pyrazole-4-carbaldehydes 1(a-c) with substituted pyrazolones 2(a-d) lead to the corresponding arylidene-pyrazolones 3(a-l) which were tested against α-glucosidase enzyme. The synthesized compounds displayed moderate to good activity. Among these, a coumarin derivative 3k exhibited excellent results (IC50 2.10 ±â€¯0.004 µM) in comparison to clinical drug acarbose (IC50 37.38 ±â€¯0.12 µM). The ligand-protein interactions were identified through docking and stabilizing energy calculations.


Subject(s)
Glycoside Hydrolase Inhibitors/pharmacology , Molecular Docking Simulation , Pyrazolones/pharmacology , alpha-Glucosidases/metabolism , Dose-Response Relationship, Drug , Glycoside Hydrolase Inhibitors/chemical synthesis , Glycoside Hydrolase Inhibitors/chemistry , Molecular Structure , Pyrazolones/chemical synthesis , Pyrazolones/chemistry , Saccharomyces cerevisiae/enzymology , Structure-Activity Relationship
5.
Bioorg Chem ; 76: 365-369, 2018 02.
Article in English | MEDLINE | ID: mdl-29232634

ABSTRACT

A series of triarylimidazoles substituted with 2-arylindoles (4a-4j) were prepared and evaluated for their in vitro α-Glucosidase inhibition. α-Glucosidase inhibition assay displayed a new class of highly potent agents The new compounds showed significant α-glucosidase inhibitory activity as compared to the standard inhibitor acrabose. Structures of synthesized compounds were determined by using Mass spectrometry FT-IR, 1H NMR and 13C NMR.


Subject(s)
Glycoside Hydrolase Inhibitors/chemistry , Imidazoles/chemistry , Indoles/chemistry , Enzyme Assays , Glycoside Hydrolase Inhibitors/chemical synthesis , Imidazoles/chemical synthesis , Indoles/chemical synthesis , Molecular Structure
6.
Bioorg Chem ; 71: 102-109, 2017 04.
Article in English | MEDLINE | ID: mdl-28160945

ABSTRACT

Under three different reaction conditions (conventional heating, microwave irradiations and amino acid catalysis), a series of imidazolylpyrazoles (2a-2k) were synthesized in good to excellent yields from a mixture of three precursors: aryl(hetaryl)pyrazole-4-carbaldehydes (1a-1k), benzil and ammonium acetate. α-Glucosidase inhibition assay revealed a new class of highly potent agents wherein each compound displayed significant inhibitory potentials (in terms of percentage inhibition and relative IC50 values) as compared to that of the reference drug (Acarbose). Moreover, molecular modelling of most potent compounds 2h, 2j and 2k also helped in understanding the structure and activity relationship.


Subject(s)
Glycoside Hydrolase Inhibitors/chemistry , Glycoside Hydrolase Inhibitors/pharmacology , Pyrazoles/chemistry , Pyrazoles/pharmacology , Saccharomyces cerevisiae/enzymology , alpha-Glucosidases/metabolism , Diabetes Mellitus, Type 2/drug therapy , Diabetes Mellitus, Type 2/enzymology , Glycoside Hydrolase Inhibitors/chemical synthesis , Humans , Molecular Docking Simulation , Pyrazoles/chemical synthesis , Saccharomyces cerevisiae/drug effects , Structure-Activity Relationship
7.
Eur J Med Chem ; 102: 464-70, 2015 Sep 18.
Article in English | MEDLINE | ID: mdl-26310891

ABSTRACT

A series of tetraarylimidazoles (5A-5O) were prepared by one pot four component condensation reactions of 2-arylindole-3-carbaldehydes, substituted anilines, benzil and ammonium acetate in acetic acid. The synthesized compounds exhibited potent antiurease activity with IC50 values ranging from 0.12 ± 0.06 µM to 29.12 ± 0.18 µM as compared with thiourea. However, low inhibition profiles were observed for lipoxygenase. The data show that tetraarylimidazoles containing a substituted 2-penylindole have emerged as a new class of potent inhibitors of urease enzyme.


Subject(s)
Drug Discovery , Enzyme Inhibitors/pharmacology , Imidazoles/pharmacology , Lipoxygenase/metabolism , Urease/antagonists & inhibitors , Canavalia/enzymology , Dose-Response Relationship, Drug , Enzyme Inhibitors/chemical synthesis , Enzyme Inhibitors/chemistry , Imidazoles/chemical synthesis , Imidazoles/chemistry , Molecular Structure , Structure-Activity Relationship , Urease/metabolism
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