Depinar, a drug that potentially inhibits the binding and entry of COVID-19 into host cells based on computer-aided studies

Yazdani, Meysam; Khezri, Jafar; Hadizadeh, Nastaran; Zakaria, Javad Zamani Amir; Naderi, Mousa; Mahmoodian, Sahar; Karkhanei, Ali Asghar; Razi, Farideh; Sanati, Mohammad Hossein; Hashemi, Ehsan

doi:10.4103/1735-5362.314830

Cited by 5 publications

(1 citation statement)

References 37 publications

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“…While many therapeutic strategies, vaccines, and drugs have been developed to combat SARS-CoV-2 infection ( 3 ), each with its advantages and limitations ( 4 ), no specific therapy has yet been developed for COVID-19. In this regard, clinicians have used several antiviral or anti-inflammatory agents to control the SARS-CoV-2 infection, but none has been proven fully effective ( 5 6 ).…”

Section: Introductionmentioning

confidence: 99%

Efficacy of intravenous immunoglobulins (IVIG) in COVID-19 patients: a systematic review and meta-analysis

Fatemi,

Rezaei,

Peikanpour

et al. 2023

Research in Pharmaceutical Sciences

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Background and purpose: Though controversial, many clinical trials have been conducted to evaluate the efficacy of intravenous immunoglobulins (IVIG) in COVID-19 cases. Therefore, a systematic review and meta-analysis have been performed to evaluate the efficacy of IVIG in the treatment of COVID-19 patients. Experimental approach: A systematic search was performed in electronic databases and preprint servers up to November 20, 2021. Since substantial heterogeneity was expected, a random-effects model was applied to pool effect size from included studies to calculate the standardized mean differences (SMDs) for the continuous variables and relative risks (RRs) for the dichotomous variable with 95% confidence intervals (CIs). Findings/Results: Five randomized clinical trials and seven cohort studies were analyzed among the 12 eligible studies with a total of 2,156 patients. The pooled RR of mortality was 0.77 (CI 0.59-1.01, P-value = 0.06), and of mechanical ventilation was 1.50 (CI 0.29-7.83; P-value = 0.63) in the IVIG group compared with the standard care group. The pooled SMD of hospital length of stay was 0.84 (CI -0.43-2.11; P-value = 0.20) and of ICU length of stay was -0.07 (CI -0.92-0.78; P-value = 0.86) in the IVIG group compared with the standard care group. Conclusion and implications: This meta-analysis found that the IVIG therapy was not statistically different from the standard care group. Mortality, ICU admission, mechanical ventilation, length of hospital stay, and length of ICU stay were not significantly improved among IVIG recipients. However, statistical indifference is not equal to clinical indifference.

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Section: Introductionmentioning

confidence: 99%

Efficacy of intravenous immunoglobulins (IVIG) in COVID-19 patients: a systematic review and meta-analysis

Fatemi,

Rezaei,

Peikanpour

et al. 2023

Research in Pharmaceutical Sciences

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Appraisal of SARS-CoV-2 mutations and their impact on vaccination efficacy: an overview

Hadizadeh

Naderi

Khezri

et al. 2022

J Diabetes Metab Disord

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With the unexpected emergence of the novel 2019 Wuhan coronavirus, the world was faced with a sudden uproar that quickly shifted into a serious life-threatening pandemic. Affecting the lives of the global population and leaving drastic damage in various sections and systems, several measures have been constantly taken to tackle down this crisis. For instance, numerous vaccines have been developed in the past two years, some of which have been granted emergency use, thus providing sufficient immunity to the vaccinated individuals. However, the appearance of newly emerged SARS-CoV-2 variants with accelerated transmission and fatality has led the world towards another pandemic. Having undergone various mutations in genomic and/or amino acid profiles, some of the emerged variants of concern (VOCs) including Alpha, Beta, Gamma, and Delta have displayed immune evasion and pathogenicity even in the vaccinated population, hence raising concerns regarding the efficacy of current vaccines against new VOCs of COVID-19. Therefore, genomic investigations of SARS-CoV-2 mutations are expected to provide valuable insight into the evolution of SARS-CoV-2, while also determining the impact of different mutations on infection severity. This study was constructed with the aim of shining light on recent advances regarding mutations in major COVID-19 VOCs, as well as vaccination efficacy against those VOCs.

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Identification of a potent dual-function inhibitor for hIMPDH isoforms by computer-aided drug discovery approaches

Yazdani

Zamani²,

Fatemi³

2022

Front. Pharmacol.

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Inosine monophosphate dehydrogenase (IMPDH) is a key enzyme in de novo biosynthesis of purine nucleotides. Due to this important role, it is a great target to drug discovery for a wide range of activities, especially immunosuppressant in heart and kidney transplantation. Both human IMPDH isoforms are expressed in stimulated lymphocytes. In addition to the side effects of existing drugs, previous studies have mainly focused on the type II isoform. In this study, virtual screening and computer-aided approaches were employed to identify potential drugs with simultaneous inhibitory effects on both human IMPDH isoforms. After Re-docking, Double-step docking, and identification of virtual hits based on the PLANTS scoring function, drug-likeness and ADME-Tox assessments of the topmost ligands were performed. Following further evaluation, the best ligand was selected and, in complex with both isoforms, simulated in monomeric and tetrameric forms using molecular dynamics to evaluate its stability and binding pattern. The results showed a potential drug candidate [(S)-N-(3-hydroxy-1-(4-hydroxyphenyl) propyl)-2-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl) acetamide] with a high inhibitory effect on the two human IMPDH isoforms. This drug-like inhibitor could potentially serve as an immunosuppressant to prevent transplant rejection response by inhibiting B- and T-lymphocyte proliferation. In addition, its effect can be evaluated in various therapeutic targets in which IMPDH is known as a therapeutic target, especially in Covid-19 patients.

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Depinar, a drug that potentially inhibits the binding and entry of COVID-19 into host cells based on computer-aided studies

Cited by 5 publications

References 37 publications

Efficacy of intravenous immunoglobulins (IVIG) in COVID-19 patients: a systematic review and meta-analysis

Efficacy of intravenous immunoglobulins (IVIG) in COVID-19 patients: a systematic review and meta-analysis

Appraisal of SARS-CoV-2 mutations and their impact on vaccination efficacy: an overview

Identification of a potent dual-function inhibitor for hIMPDH isoforms by computer-aided drug discovery approaches

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