http://chineseinput.net/에서 pinyin(병음)방식으로 중국어를 변환할 수 있습니다.
변환된 중국어를 복사하여 사용하시면 됩니다.
Athar Abbasi, Muhammad,Raza, Hussain,Aziz-ur-Rehman, Hussain,Zahra Siddiqui, Sabahat,Adnan Ali Shah, Syed,Hassan, Mubashir,Seo, Sung-Yum Elsevier 2019 Bioorganic chemistry Vol.83 No.-
<P><B>Abstract</B></P> <P>Present work aimed to synthesize some unique bi-heterocyclic benzamides as lead compounds for the <I>in vitro</I> inhibition of urease enzyme, followed by <I>in silico</I> studies. These targeted benzamides were synthesized in good yields through a multi-step protocol and their structures were confirmed by IR, <SUP>1</SUP>H NMR, <SUP>13</SUP>C NMR, EI-MS and elemental analysis. The <I>in vitro</I> screening results showed that most of the ligands exhibited good inhibitory potentials against the urease. Chemo-informatics analysis envisaged that all these compounds obeyed the Lipinski's rule. Molecular docking results showed that <B>7h</B> exhibited good binding energy value (−8.40 kcal/mol) and was bound within the active region of urease enzyme. From the present investigation, it was inferred that some of these potent urease inhibitors might serve as novel templates in drug designing.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Synthesis of bi-heterocyclic scaffolds. </LI> <LI> Structural characterization with spectral analysis. </LI> <LI> Urease inhibition and structure-activity relationship. </LI> <LI> Chemo-informatics and validation of Lipinski rule. </LI> <LI> Molecular docking analysis to ascertain interactions. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>
Abbasi, Muhammad Athar,Hassan, Mubashir,ur-Rehman, Aziz,Siddiqui, Sabahat Zahra,Hussain, Ghulam,Shah, Syed Adnan Ali,Ashraf, Muhammad,Shahid, Muhammad,Seo, Sung Yum Elsevier 2018 Computational biology and chemistry Vol.77 No.-
<P><B>Abstract</B></P> <P>The heterocyclic compounds have been extensively reported for their bioactivity potential. The current research work reports the synthesis of some new multi-functional derivatives of 2-furoic piperazide (<B>1</B>; 1-(2-furoyl)piperazine). The synthesis was initiated by reacting the starting compound <B>1</B> with 3,5-dichloro-2-hydroxybenzenesulfonyl chloride (<B>2</B>) in a basic, polar and protic medium to obtain the parent sulfonamide <B>3</B> which was then treated with different electrophiles, <B>4a–g</B>, in a polar and aprotic medium to acquire the designed molecules, <B>5a</B>–<B>g</B>. These convergent derivatives were evaluated for their inhibitory potential against <I>α</I>-glucosidase, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes. Acarbose was used as a reference standard for <I>α</I>-glucosidase inhibition while eserine for AChE and BChE inhibition. Some of the synthesized compounds were identified as promising inhibitors of these three enzymes and their bioactivity potentials were also supported by molecular docking study. The most active compounds among the synthetic analogues might be helpful in drug discovery and development for the treatment of type 2 diabetes and Alzhiemer’s diseases.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Synthesis of multi-functional 2-furoic piperazide derivatives. </LI> <LI> Enzyme inhibitory studies against different enzymes. </LI> <LI> Computational studies to augment the <I>in vitro</I> results. </LI> <LI> Suitable therapeutic agents for type 2 diabetes and Alzheimer’s disease. </LI> <LI> Mild hemolytic agents toward red blood cell membrane. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>
Abbasi, Muhammad Athar,Hassan, Mubashir,Aziz-ur-Rehman, Mubashir,Siddiqui, Sabahat Zahra,Raza, Hussain,Shah, Syed Adnan Ali,Seo, Sung-Yum Elsevier 2018 Bioorganic & medicinal chemistry Vol.26 No.13
<P><B>Abstract</B></P> <P>The present article describes the synthesis, <I>in vitro</I> urease inhibition and <I>in silico</I> molecular docking studies of a novel series of bi-heterocyclic bi-amides. The synthesis of title compounds was initiated by benzoylation, with benzoyl chloride (<B>1</B>), of the key starter ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate (<B>2</B>) in weak basic aqueous medium followed by hydrazide formation, <B>4</B>, and cyclization with CS<SUB>2</SUB> to reach the parent bi-heterocyclic nucleophile, <I>N</I>-{4-[(5-sulfanyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazol-2-yl}benzamide (<B>5</B>). Various electrophiles, <B>8a–l</B>, were synthesized by a two-step process and these were finally coupled with <B>5</B> to yield the targeted bi-heterocyclic bi-amide molecules, <B>9a–l</B>. The structures of the newly synthesized products were corroborated by IR, <SUP>1</SUP>H NMR, <SUP>13</SUP>C NMR, EI-MS and elemental analysis. The <I>in vitro</I> screening of these molecules against urease explored that most of the compounds exhibit potent inhibitory potential against this enzyme. The compound <B>9j</B>, with IC<SUB>50</SUB> value of 2.58 ± 0.02 µM, exhibited most promising inhibitory activity among the series, relative to standard thiourea having IC<SUB>50</SUB> value of 21.11 ± 0.12 µM. <I>In silico</I> studies fully augmented the experimental enzyme inhibition results. Chemo-informatics analysis showed that synthesized compounds (<B>9a–l</B>) mostly obeyed the Lipinski's rule. Molecular docking study suggested that ligand <B>9j</B> exhibited good binding energy value (−7.10 kcal/mol) and binds within the active region of target protein. So, on the basis of present investigation, it was inferred that <B>9j</B> may serve as a novel scaffold for designing more potent urease inhibitors.</P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>
Abdul Rehman Khalid,Ali Athar,Hee-Cheol Kim 한국정보통신학회 2023 한국정보통신학회 종합학술대회 논문집 Vol.27 No.1
This paper examines the problem of counterfeit medicines and illicit drugs, which represent serious threats to public health and safety across the world. Counterfeit medicines are forgeries that may include hazardous substances, whereas illicit drugs are prohibited to manufacture, distribute, or consumption. We synthesize the existing research on the application of artificial intelligence (AI) algorithms for identifying and detecting counterfeit healthcare products and illegal drug transactions on social media in this review paper. We examine the use of artificial intelligence techniques on social media to detect suspicious activity connected to counterfeit healthcare products and illicit drugs. Our findings suggest that artificial intelligence algorithms have a high potential for identifying and preventing the sale of counterfeit healthcare products and illicit drugs on social media.
Hassan, Mubashir,Abbasi, Muhammad Athar,Aziz-ur-Rehman, Muhammad Athar,Siddiqui, Sabahat Zahra,Hussain, Ghulam,Shah, Syed Adnan Ali,Shahid, Muhammad,Seo, Sung-Yum Elsevier 2018 Journal of theoretical biology Vol.458 No.-
<P><B>Abstract</B></P> <P>A new series of multifunctional amides has been synthesized having moderate enzyme inhibitory potentials and mild cytotoxicity. 2-Furyl(1-piperazinyl)methanone (<B>1</B>) was coupled with 3,5-dichloro-2-hydroxybenzenesulfonyl chloride (<B>2</B>) to form {4-[(3,5-dichloro-2-hydroxyphenyl)sulfonyl]-1-piperazinyl}(2-furyl)methanone (<B>3</B>). Different elecrophiles were synthesized by the reaction of various un/substituted anilines (<B>4a-o</B>) with 2-bromoacetylbromide (<B>5</B>), 2‑bromo‑<I>N</I>-(un/substituted-phenyl)acetamides (<B>6a-o</B>). Further, equimolar ratios of <B>3</B> and <B>6a-o</B> were allowed to react in the presence of K<SUB>2</SUB>CO<SUB>3</SUB> in acetonitrile to form desired multifunctional amides (<B>7a-o</B>). The structural confirmation of all the synthesized compounds was carried out by their EI-MS, IR, <SUP>1</SUP>H NMR and <SUP>13</SUP>C NMR spectral data. Enzyme inhibition activity was performed against acetyl and butyrylcholinestrase enzymes, whereby <B>7e</B> showed very good activity having IC<SUB>50</SUB> value of 5.54 ± 0.03 and 9.15 ± 0.01 <I>μ</I>M, respectively, relative to eserine, a reference standard. Hemolytic activity of the molecules was checked to asertain their cytotoxicity towards red blood cell membrance and it was observed that most of the compounds were not toxic up to certain range. Moreover, chemoinformatic protepties and docking simulation results also showed the significance of <B>7e</B> as compared to other compounds. Based on <I>in vitro</I> and <I>in silico</I> analysis <B>7e</B> could be used as a template for the development of new drugs against Alzheimer's disease.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Designing of multifunctional amides derivatives as acetyl and butyrylcholinesterase inhibitors. </LI> <LI> Chemoinformatic, molecular docking and simulation analysis was against most potent inhibitor <B>7e.</B> </LI> <LI> In vitro and in silico results showed the significance of <B>7e</B> and could be used as a template for novel drugs against Alzheimer's disease. </LI> </UL> </P>
The Role of Artificial Intelligence and Blockchain in the Metaverse
Tagne Poupi Theodre A.,Ali Athar,Abdullah,Khadija Begum,Hee-Cheol Kim(김희철) 한국정보통신학회 2022 한국정보통신학회 종합학술대회 논문집 Vol.26 No.1
Currently, the world has known many innovative technologies created to bring users to interact using the internet. The latest buzzword attracting attention both from industry and academia is the metaverse. The metaverse is a virtual environment in which people used virtual reality and augmented reality devices to carry out numerous virtual activities. At first, metaverse applications were mostly virtual games, but now with advances in research, many other applications and technologies are integrating the metaverse among which manufacturing, real estate, healthcare, military, and many others. The proper operation of these applications requires some technologies like blockchain and artificial intelligence. In this paper, we investigate the role of blockchain and AI in the metaverse. This work aims to present the eventual use cases of these technologies in the metaverse regardless of their application domain.