硫酸阿巴卡韦及其新型修饰物的合成、分子对接、硅基筛选、结构安全性评价

IF 0.5 Q4 EDUCATION & EDUCATIONAL RESEARCH

Rasayan Journal of Chemistry Pub Date : 2023-01-01 DOI:10.31788/rjc.2023.1638335

Mohit Ananda, Abhishek Ghosh, Hridhya Mohandas, Rudranil Karmakar, Belagala Nagesh, S. Jubie, Sanal Dev K. T., Jeyaprakash M. R.

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引用次数: 0

摘要

硫酸阿巴卡韦是一种核苷类似物和逆转录酶抑制剂，与拉米夫定和齐多夫定联合用于治疗艾滋病毒和艾滋病。阿巴卡韦毒性较高，在高温下最不稳定。该药的规定温度建议不超过25℃。本研究的重点是ABC的稳定性问题。新的合成部分将有助于稳定药物，它可以用作前药物配方，并可以采取目前市场上供应任何抗逆转录病毒药物的情况。本研究的目的是利用希夫碱合成一种新型药物，并通过不同的仪器分析模式对其结构进行阐明，并进行硅研究。从以上研究中，我们可以得出结论，新片段作为药物使用是安全的，并且可以进一步探索其使用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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SYNTHESIS, MOLECULAR DOCKING, IN-SILICO ADMET SCREENING, STRUCTURAL SAFETY EVALUATION OF ABACAVIR SULFATE AND ITS NOVEL MODIFIED SUBSTANCE

Abacavir Sulfate is a nucleoside analog and reverse transcriptase inhibitor which is used in combination with Lamivudine and Zidovudine for the treatment of HIV and AIDS. Abacavir has higher toxicity levels and is least stable in heat. The specified temperature for the drug was proposed to be not more than 25°C. The present study focuses on the stability-related problem of the ABC. The new synthetic moiety will help to stabilize the drug, it can be used as a pro-drug formulation and can take the present scenario of the market which supplies any anti-retroviral drug. The aim of the current study is to synthesize a novel drug using Schiff base synthesis and perform its structural elucidation by different modes of Instrumental Analysis and perform in silico studies. From the above study, we can conclude that the novel moiety is safe to use as a drug and could be explored furthermore for its use.

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来源期刊

Rasayan Journal of Chemistry Energy-Energy (all)

CiteScore

1.90

自引率

0.00%

发文量

196

期刊介绍： RASĀYAN Journal of Chemistry [RJC] signifies a confluence of diverse streams of chemistry to stir up the cerebral powers of its contributors and readers. By introducing the journal by this name, we humbly intent to provide an open platform to all researchers, academicians and readers to showcase their ideas and research findings among the people of their own fraternity and to share their vast repository of knowledge and information. The journal seeks to embody the spirit of enquiry and innovation to augment the richness of existing chemistry literature and theories. We also aim towards making this journal an unparalleled reservoir of information and in process aspire to inculcate and expand the research aptitude.