17 results match your criteria Arabian Journal of Chemistry[Journal]

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Prediction of COVID-19 manipulation by selective ACE inhibitory compounds of root: study and ADMET profile.

Arab J Chem 2022 Jul 27;15(7):103942. Epub 2022 Apr 27.

Research Centre, Future University in Egypt, New Cairo 11845, Egypt.

In the novel SARS-CoV-2 (COVID-19) as a global emergency event, the main reason of the cardiac injury from COVID-19 is angiotensin-converting enzyme 2 (ACE2) targeting in SARS-CoV-2 infection. The inhibition of ACE2 induces an increase in the angiotensin II (Ang II) and the angiotensin II receptor type 1 (AT1R) leading to impaired cardiac function or cardiac inflammatory responses. The ethyl acetate fraction of L. Read More

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essential oil, a novel anti-COVID-19 Omicron spike protein natural products: A computational study.

Arab J Chem 2022 Jul 18;15(7):103916. Epub 2022 Apr 18.

College of Pharmaceutical Science, Zhejiang Chinese Medical University, Hangzhou 311402, PR China.

Since the outbreak of COVID-19, this virus has been constantly mutating. The latest mutant Omicron has been identified as VOC by WHO. The main reason for its concern is the mutation of 46 amino acids in spike protein, which has brought the global epidemic prevention into another difficulty. Read More

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Sustainable adsorptive removal of antibiotic residues by chitosan composites: An insight into current developments and future recommendations.

Arab J Chem 2022 May 29;15(5):103743. Epub 2022 Jan 29.

Polymer Materials Research Department, Advanced Technology and New Materials Research Institute (ATNMRI), City of Scientific Research and Technological Applications (SRTA-City), New Borg El-Arab City, P.O. Box: 21934, Alexandria, Egypt.

During COVID-19 crisis, water pollution caused by pharmaceutical residuals have enormously aggravated since millions of patients worldwide are consuming tons of drugs daily. Antibiotics are the preponderance pharmaceutical pollutants in water bodies that surely cause a real threat to human life and ecosystems. The excellent characteristics of chitosan such as nontoxicity, easy functionality, biodegradability, availability in nature and the abundant hydroxyl and amine groups onto its backbone make it a promising adsorbent. Read More

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Computational screening and biochemical analysis of and plants to find effective inhibitors against Receptor-Binding domain (RBD) of the spike protein of SARS-Cov-2.

Arab J Chem 2022 Feb 1;15(2):103600. Epub 2021 Dec 1.

Microbiology Laboratory, Department of Genetic Engineering and Biotechnology, University of Rajshahi, Rajshahi 6205, Bangladesh.

Although World Health Organization-approved emergency vaccines are available in many countries, the mortality rate from COVID-19 remains high due to the fourth or fifth wave and the delta variant of the coronavirus. Thus, an effective mechanistic investigation in treating this disease is urgently needed. In this work, we extracted phytochemicals from two mangrove plants, and , assessing their potential actions against the receptor-binding domain (RBD) of the spike protein of SARS-CoV-2. Read More

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February 2022

A possible potential COVID-19 drug candidate: Diethyl 2-(2-(2-(3-methyl-2-oxoquinoxalin-1(2H)-yl)acetyl)hydrazono)malonate: Docking of disordered independent molecules of a novel crystal structure, HSA/DFT/XRD and cytotoxicity.

Arab J Chem 2022 Feb 28;15(2):103595. Epub 2021 Nov 28.

Laboratory of Medicinal Chemistry, Drug Sciences Research Center, Faculty of Medicine and Pharmacy, Mohammed V University in Rabat, Morocco.

This study reports the synthesis, characterization and importance of a novel diethyl 2-(2-(2-(3-methyl-2-oxoquinoxalin-1(2H)-yl)acetyl)hydrazono)malonate (. Two independent molecular structures of the disordered have been established by XRD‑single‑crystal analysis in a ratio of 0.596(3)/0. Read More

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February 2022

QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CL Inhibitor: GA-MLR QSAR modeling supported by molecular Docking, molecular dynamics simulation and MMGBSA calculation approaches.

Arab J Chem 2022 Jan 19;15(1):103499. Epub 2021 Oct 19.

Department of Business Administration, Faculty of Business Administration, Economics & Political Science, The British University in Egypt (BUE), Cairo, Egypt.

Congruous coronavirus drug targets and analogous lead molecules must be identified as quickly as possible to produce antiviral therapeutics against human coronavirus (HCoV SARS 3CLpro) infections. In the present communication, we bear recognized a HIT candidate for HCoV SARS 3CLpro inhibition. Four Parametric GA-MLR primarily based QSAR model (R2:0. Read More

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January 2022

screening, SAR and kinetic studies of naturally occurring flavonoids against SARS CoV-2 main protease.

Arab J Chem 2022 Jan 11;15(1):103473. Epub 2021 Oct 11.

Institute of Chemical Sciences, Bahauddin Zakariya University, Multan 60800, Pakistan.

The Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV-2) pandemic has become a global challenge based on its replication within the host cells that relies on non-structural proteins, protease (M). Flavonoids, an important class of naturally occurring compounds with medicinal importance, are frequently available within fruits and vegetables. Herein, we report the studies on naturally occurring flavonoids consisting of molecular docking studies and evaluation of theoretical kinetics. Read More

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January 2022

Antiviral peptides against the main protease of SARS-CoV-2: A molecular docking and dynamics study.

Arab J Chem 2021 Sep 14;14(9):103315. Epub 2021 Jul 14.

Microbiology Laboratory, Department of Genetic Engineering and Biotechnology, University of Rajshahi, Rajshahi 6205, Bangladesh.

The recent coronavirus outbreak has changed the world's economy and health sectors due to the high mortality and transmission rates. Because the development of new effective vaccines or treatments against the virus can take time, an urgent need exists for the rapid development and design of new drug candidates to combat this pathogen. Here, we obtained antiviral peptides obtained from the data repository of antimicrobial peptides (DRAMP) and screened their predicted tertiary structures for the ability to inhibit the main protease of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) using multiple combinatorial docking programs, including PatchDock, FireDock, and ClusPro. Read More

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September 2021

Structure- and Ligand-Based Studies towards the Repurposing of Marine Bioactive Compounds to Target SARS-CoV-2.

Arab J Chem 2021 Apr 25;14(4):103092. Epub 2021 Feb 25.

Department of Organic and Medicinal Chemistry, Faculty of Pharmacy, University of Sadat City, Menoufia 32897, Egypt.

This work was a structured virtual screening for marine bioactive compounds with reported antiviral activities which were subjected to structure-based studies against SARS-CoV-2 co-crystallized proteins. The molecular docking of marine bioactive compounds against the main protease (M, PDB ID: 6lu7 and 6y2f), the spike glycoprotein (PDB ID: 6vsb), and the RNA polymerase (PDB ID: 6m71) of SARS-CoV-2 was performed. Ligand-based approach with the inclusion of rapid overlay chemical structures (ROCS) was also addressed in order to examine the probability of these marine compounds sharing relevance and druggability with the reported drugs. Read More

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Pharmacological basis for the potential role of Azithromycin and Doxycycline in management of COVID-19.

Arab J Chem 2021 Mar 10;14(3):102983. Epub 2021 Jan 10.

Department of Pharmacology Faculty of Medicine, King Abdulaziz University, Saudi Arabia.

A novel corona virus SARS-CoV-2 has led to an outbreak of the highly infectious pandemic COVID-19 complicated viral pneumonia. Patients with risk factors frequently develop secondary infections where the role of appropriate antibiotics is mandatory. However, the efforts of drug repurposing lead to recognizing the role of certain antibiotics beyond the management of infection. Read More

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Potential bioactive compounds as SARS-CoV-2 inhibitors from extracts of the marine red alga (Rhodophyta) - A computational study.

Arab J Chem 2021 Nov 23;14(11):103393. Epub 2021 Aug 23.

Graduate School of Integrated Sciences for Life, Hiroshima University, Higashi Hiroshima 739-8528, Japan.

The respiratory infection COVID-19 caused by the virus SARS CoV-2 has continued to be a major health problem worldwide and has caused more than a million mortalities. Even if the development of COVID-19 vaccines has shown much progress, efforts to find novel, natural anti-viral drugs should be pursued. is a marine red alga widely distributed around Southeast Asia. Read More

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November 2021

Scoping insight on antiviral drugs against COVID-19.

Arab J Chem 2021 Oct 16;14(10):103385. Epub 2021 Aug 16.

Department of Pharmacology, Faculty of Medicine, King Abdulaziz University, Jeddah, Saudi Arabia.

Background: COVID-19 is an ongoing viral pandemic produced by SARS-CoV-2. In light of efficacy, several medications were repurposed for its management. During clinical use, many of these medications produced inconsistent results or had varying limitations. Read More

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October 2021

Exploring the interaction of quercetin-3-O-sophoroside with SARS-CoV-2 main proteins by theoretical studies: A probable prelude to control some variants of coronavirus including Delta.

Arab J Chem 2021 Oct 28;14(10):103353. Epub 2021 Jul 28.

Department of Medical Nanotechnology, Faculty of Advanced Science and Technology, Tehran Medical Sciences, Islamic Azad University, Tehran, Iran.

The aim of this study was to investigate the mechanism of interaction between quercetin-3-O-sophoroside and different SARS-CoV-2's proteins which can bring some useful details about the control of different variants of coronavirus including the recent case, Delta. The chemical structure of the quercetin-3-O-sophoroside was first optimized. Docking studies were performed by CoV disease-2019 (COVID-19) Docking Server. Read More

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October 2021

TAT-peptide conjugated repurposing drug against SARS-CoV-2 main protease (3CLpro): Potential therapeutic intervention to combat COVID-19.

Arab J Chem 2020 Nov 1;13(11):8069-8079. Epub 2020 Oct 1.

Department of Chemistry, Faculty of Applied Sciences, Umm Al-Qura University, 21955 Makkah, Saudi Arabia.

The Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) that originated in Chinese city of Wuhan has caused around 906,092 deaths and 28,040,853 confirmed cases worldwide (https://covid19.who.int/, 11 September 2020). Read More

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November 2020

3D printing and continuous flow chemistry technology to advance pharmaceutical manufacturing in developing countries.

Arab J Chem 2020 Nov 23;13(11):7886-7908. Epub 2020 Sep 23.

Nelson Mandela University, University Way, Port Elizabeth 6031, South Africa.

The realization of a downward spiralling of diseases in developing countries requires them to become self-sufficient in pharmaceutical products. One of the ways to meet this need is by boosting the local production of active pharmaceutical ingredients and embracing enabling technologies. Both 3D printing and continuous flow chemistry are being exploited rapidly and they are opening huge avenues of possibilities in the chemical and pharmaceutical industries due to their well-documented benefits. Read More

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November 2020

Development of superior antibodies against the S-protein of SARS-Cov-2 using macrocyclic epitopes.

Arab J Chem 2022 Mar 10;15(3):103631. Epub 2021 Dec 10.

Department of Chemistry, College of Science, King Faisal University, P.O Box 400, Al-Ahsa 31982, Saudi Arabia.

One of the proven methods to prevent and inhibit viral infections is to use antibodies to block the initial Receptor Binding Domain (RBD) of SARS-CoV-2 S protein and avoid its binding with the host cells. Thus, developing these RBD-targeting antibodies would be a promising approach for treating the SARS-CoV-2 infectious disease and stop virus replication. Macrocyclic epitopes constitute closer mimics of the receptor's actual topology and, as such, are expected to be superior epitopes for antibody generation. Read More

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Structure-based virtual screening and molecular dynamics of phytochemicals derived from Saudi medicinal plants to identify potential COVID-19 therapeutics.

Arab J Chem 2020 Sep 9;13(9):7224-7234. Epub 2020 Aug 9.

Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, P.O. Box 173, Al-Kharj 11942, Saudi Arabia.

Coronavirus disease 2019 (COVID-19) has affected almost every country in the world by causing a global pandemic with a high mortality rate. Lack of an effective vaccine and/or antiviral drugs against SARS-CoV-2, the causative agent, has severely hampered the response to this novel coronavirus. Natural products have long been used in traditional medicines to treat various diseases, and purified phytochemicals from medicinal plants provide a valuable scaffold for the discovery of new drug leads. Read More

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September 2020
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