Targeting Integrase Enzyme: A Therapeutic Approach to Combat HIV Resistance

Daipule, Komal; Khushboo, Joshi; Sethi, Aaftaab; Lakshmi, Soukya; Alvala, Mallika

doi:10.2174/1389557519666191015124932

Cited by 6 publications

(1 citation statement)

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“…The human immunodeficiency virus (HIV) is a retrovirus that attacks the human immune system. The genetic material of the retrovirus is inserted into the host genome by the retroviral integrase during the process of integration (Komal et al, 2020 andSmith &Daniel, 2006). As a result of a weakened immune system, various symptomssuch as fever, cough, swollen lymph nodes, mouth ulcers, and muscle achescan develop.…”

Section: Introductionmentioning

confidence: 99%

In Silico Studies of Compounds Present in Azadirachta Indica (Neem) and Their Ability to Bind Hiv Integrase Protein

Zhang¹,

Lau²,

Arora³

2022

ArestyRURJ

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Azadirachta indica (Neem) is an evergreen tree that belongs to the Meliaceae family. It is native to the Indian subcontinent and grows worldwide. It is also known as the "village pharmacy" in India for its wide range of therapeutic and pharmacological properties. An in vitro study indicated that A. indica showed anti-HIV properties. However, the exact mechanism for the supposed anti-HIV properties remains unknown. This study aimed to construct an in-silico database of the compounds present in A. in-dica and propose a computational analysis of these compounds against HIV integrase. We performed a thorough literature search to gather relevant information on the plant compounds, including chemical structure, location within the plant, extraction method, and percent yield of each compound found in the plant. We took a comprehensive ap-proach to closely study the binding pockets of HIV integrase and performed molecular docking on A. indica compounds using Molecular Operating Envi-ronment. A deductive analysis of the docking energies of these compounds revealed thirty potential binders against HIV integrase proteins. We further validated these binders by comparing the ligand in-teractions to known inhibitors using Ligplot+, which identified the presence of numerous hydrogen bonds and hydrophobic interactions at the protein binding pocket. In conclusion, we propose an un-derlying binding potential for several A. indica compounds with HIV integrase, yielding a potential mechanism for the anti-HIV activity of A. indica.

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Section: Introductionmentioning

confidence: 99%

In Silico Studies of Compounds Present in Azadirachta Indica (Neem) and Their Ability to Bind Hiv Integrase Protein

Zhang¹,

Lau²,

Arora³

2022

ArestyRURJ

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Pyrimidines and Their Benzo Derivatives

Cao

Martini

Park

et al. 2022

Comprehensive Heterocyclic Chemistry IV

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Non-nucleoside structured compounds with antiviral activity—past 10 years (2010–2020)

Denel-Bobrowska

Olejniczak

2022

European Journal of Medicinal Chemistry

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Nucleosides and their derivatives are a well-known and well-described class of compounds with antiviral activity. Currently, in the era of the COVID-19 pandemic, scientists are also looking for compounds not related to nucleosides with antiviral properties. This review aims to provide an overview of selected synthetic antiviral agents not associated to nucleosides developed against human viruses and introduced to preclinical and clinical trials as well as drugs approved for antiviral therapy over the last 10 years. The article describes for the first time the wide classification of such antiviral drugs and drug candidates and briefly summarizes the biological target and clinical applications of the compounds. The described compounds are arranged according to the antiviral mechanism of action. Knowledge of the drug's activity toward specific molecular targets may be the key to researching new antiviral compounds and repositioning drugs already approved for clinical use. The paper also briefly discusses the future directions of antiviral therapy. The described examples of antiviral compounds can be helpful for further drug development.

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Targeting Integrase Enzyme: A Therapeutic Approach to Combat HIV Resistance

Cited by 6 publications

References 0 publications

In Silico Studies of Compounds Present in Azadirachta Indica (Neem) and Their Ability to Bind Hiv Integrase Protein

In Silico Studies of Compounds Present in Azadirachta Indica (Neem) and Their Ability to Bind Hiv Integrase Protein

Pyrimidines and Their Benzo Derivatives

Non-nucleoside structured compounds with antiviral activity—past 10 years (2010–2020)

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