HIV Infection: A Review of their Inhibitors Progression

Pandey, Diksha; Chouhan, Usha; Verma, Neha

doi:10.13005/bpj/1164

Cited by 4 publications

(3 citation statements)

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“…Dalam siklus virus ini, enzim protease HIV-1 bertanggung jawab untuk menjadi katalisator produksi enzim dan kebutuhan struktural protein untuk menghasilkan virion yang matang dan mematikan (Ghosh et al, 2016). Apabila enzim protease HIV-1 dihambat, maka akan berdampak pada virus yang belum matang, sehingga virus tidak dapat melakukan kinerja degan baik, atau menjadi bentuk yang non infeksius (Pandey et al, 2017). Oleh karena itu, enzim protease HIV-1 penting untuk dijadikan sebagai target ideal untuk pengobatan penyakit HIV (Yilmaz et al, 2016).…”

Section: Pendahuluanunclassified

Penambatan Molekuler Senyawa Bioaktif dari Ekstrak Etanol Daun Pangi (Pangium edule) Terhadap Reseptor Protease HIV-1

Tumilaar¹,

Siampa

Tallei

2021

JIS

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ABSTRAKHuman Immunodeficiency Virus (HIV) merupakan virus yang menyerang sistem kekebalan tubuh, dan pada akhirnya dapat menyebabkan Acquired Immune Deficiency Syndrome (AIDS). Daun Pangi (Pangium edule) yang sering digunakan sebagai sayuran oleh masyarakat di Sulawesi Utara, telah diteliti memiliki efek penghambatan pada enzim protease HIV-1. Penelitian ini bertujuan untuk mengevaluasi potensi senyawa bioaktif yang terkandung dalam daun Pangi dalam menghambat protease HIV-1 secara in silico. Senyawa ini diekstraksi menggunakan etanol dan ditentukan menggunakan Gas Chromatography-Mass Spectrometer (GC-MS). Penambatan molekul dilakukan menggunakan program Autodock Vina dengan menambatkan senyawa yang telah ditentukan pada situs aktif reseptor protease HIV-1 (PDB ID: 3NU3). Hasil GC-MS dari ekstrak etanol daun Pangi menunjukkan 12 komponen senyawa. Senyawa-senyawa ini digunakan sebagai ligan untuk ditambatkan pada protease HIV-1. Hasil penambatan senyawa-senyawa tersebut dibandingkan dengan hasil penambatan amprenavir yang digunakan sebagai ligan kontrol. Studi penambatan molekuler menunjukkan bahwa Phytol merupakan ligan dengan nilai afinitas pengikatan terendah (-8,8 kkal / mol).Kata kunci: Pangi; penambatan molekuler; protease HIV-1Molecular Docking of Bioactive Compounds from Pangi (Pangium edule) Leaves Ethanol Extract Against HIV-1 Protease ABSTRACTHuman Immunodeficiency Virus (HIV) is a virus that attacks the immune system and can eventually cause Acquired Immune Deficiency Syndrome (AIDS). The leaf of Pangi (Pangium edule), which is often used as a vegetable by people in North Sulawesi, has been investigated to have an inhibitory effect on the HIV-1 protease enzyme. This study aimed to evaluate the potential of bioactive compounds contained in Pangi leaves in inhibiting HIV-1 protease by using in silico analysis. These compounds were extracted using ethanol and determined using a Gas Chromatography-Mass Spectrometer (GC-MS). The evaluation was carried out using the Autodock Vina program by docking the determined compounds on the active site of the HIV-1 protease receptor (PDB ID: 3NU3). There were 12 compounds detected in the ethanol extract of Pangi leaves, which were then used as ligands, and the results were compared with amprenavir as a control ligand. Molecular docking study showed that Phytol was the ligand with the lowest binding affinity value ( -8.8 kcal/mol).Keywords: Pangi; molecular docking; HIV-1 protease

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Section: Pendahuluanunclassified

Penambatan Molekuler Senyawa Bioaktif dari Ekstrak Etanol Daun Pangi (Pangium edule) Terhadap Reseptor Protease HIV-1

Tumilaar¹,

Siampa

Tallei

2021

JIS

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“…Salah satu mekanisme kerja obat ARV yaitu dengan menghambat kerja enzim protease yang berperan dalam maturasi virus (Ghosh et al, 2017). Penghambatan enzim protease berdampak pada virus yang immature sehingga virus menjadi bentuk yang non infeksius (Pandey et al, 2017). Oleh karena itu, pentingnya enzim protease HIV dalam siklus hidup virus menjadikan enzim protease sebagai target ideal untuk pengobatan penyakit HIV (Yilmaz et al, 2017).…”

Section: Abstrakunclassified

Penambatan Molekuler dan Simulasi Dinamika Molekuler Senyawa Dari Genus Nigella Terhadap Penghambatan Aktivitas Enzim Protease HIV-1

Zubair

Maulana

Mukaddas

2020

JFG

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Nigella plant genus has potential as anti-HIV. One species of Nigella, Nigella sativa has been reported to have HIV-1 protease enzyme inhibitory activity. This research aims to determine the compounds of the Nigella genus that have activity as HIV-1 protease enzyme inhibitory activity through molecular docking method by Autodock Vina and to compare interaction stability through molecular dynamics simulations by AMBER. The metabolite of the Nigella genus was obtained from the KnapSack website, and enzyme model was obtained from the Protein Data Bank (3NU3). The results of molecular docking found the lowest affinity energy of Nigella compound is Nigellidine 4-O-sulfite (-13.4 kcal/mol). Meanwhile, the affinity energy of the ligand native (Amprenavir) was -12.1 kcal/mol. The lowest affinity energy of Nigellidine 4-O-sulfite might be predicted to have potency as an HIV-1 Protease inhibitor. Molecular dynamics simulation showed Root Mean Square Fluctuation (RMSF) value of Nigellidine 4-O-sulfite with the amino acid active site is 0.4064 Å for ASP:25 and 0.5667 Å for ASP: 125. Whereas RMSF ligand native with the amino acid active site, ASP: 25 is 0.3647 Å and ASP: 125 is 0.3639 Å. The higher RMSF value of Nigellidine 4-O-sulfite describes the lower interaction stability than the ligand native.

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“…4 HIV infection eventually overwhelms the immune system and develops into acquired immune deficiency syndrome (AIDS); however, in patients using antiretroviral therapy (ART) consistently, the HIV virus is impeded from extending and wrecking the immune system and ART assists in retaining the body strength by helping fight off life-threatening infections and preventing HIV from progressing to AIDS. 5 Hence, timely diagnosis of HIV positive patient and assessment of associated risk factors is very crucial in appropriate management of the patient and to avert the spread of HIV infection to other people in the community.…”

Section: Introductionmentioning

confidence: 99%

A study on prevalence of HIV and its associated risk factors in patients visiting tertiary care center of North India

et al. 2023

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Background: India is home to the second largest population of people living with human immunodeficiency virus/acquired immune deficiency syndrome (HIV/AIDS) with an estimated 5.134 million infections. HIV has infected >75 million people worldwide, with an estimated 37 million people now living with the virus making it the major cause of morbidity and mortality worldwide. HIV is a significant public health problem with tremendous social and economic implications. Aims and Objectives: Our primary aim is to estimate the prevalence of HIV infection and the associated risk factors of HIV infection. Materials and Methods: This is a retrospective study of the patients who visited in integrated counseling and testing center (ICTC) and State Reference Laboratory at a tertiary care center of Agra, Uttar Pradesh from January 2017 to December 2021. The data are in accordance with NACO portal. Results: The highest HIV seropositivity was observed in 35–49 years age group in both males and females in three consecutive years 2017, 2018, and 2019, respectively. HIV seropositivity in males decreased from 8.3% in 2017 to 4.9% in 2021 and in females from 6.0% to 4.6%. The most seropositives belong to married population (41.2%) and the least in divorced population (4.2%). Overall, housewives (20.7%) were maximally affected by HIV seropositivity, followed by skilled workers (15.8%) and unemployed/retired persons (15.7%). Uneducated population had maximum seropositivity rate (35.3%). Majority of HIV positives were heterosexual non-commercial partner (47.4%), while the homosexuals were the least (1.8%) affected. Conclusion: This study highlights the most affected group of HIV seropositive population and their risk behavior. Thus, by making ICTC, more accessible to ramp up the focused screening and prevention efforts for the suspected HIV population and evolving the appropriate policies/strategies for public awareness program will help to reduce the spread of HIV infection among the masses.

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HIV Infection: A Review of their Inhibitors Progression

Cited by 4 publications

References 0 publications

Penambatan Molekuler Senyawa Bioaktif dari Ekstrak Etanol Daun Pangi (Pangium edule) Terhadap Reseptor Protease HIV-1

Penambatan Molekuler Senyawa Bioaktif dari Ekstrak Etanol Daun Pangi (Pangium edule) Terhadap Reseptor Protease HIV-1

Penambatan Molekuler dan Simulasi Dinamika Molekuler Senyawa Dari Genus Nigella Terhadap Penghambatan Aktivitas Enzim Protease HIV-1

A study on prevalence of HIV and its associated risk factors in patients visiting tertiary care center of North India

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