Search Results - "Zalloum, Waleed"
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Comparative QM/MM Molecular Dynamics and Umbrella Sampling Simulations: Interaction of the Zinc-Bound Intermediate Gem-Diolate Trapoxin A Inhibitor and Acetyl‑l‑lysine Substrate with Histone Deacetylase 8
Published in The journal of physical chemistry. B (27-05-2021)“…Targeting the genetic material without destruction is a priority to develop safe anticancer drugs. Histone deacetylase 8 (HDAC8), which is proved to be…”
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Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities
Published in European journal of medicinal chemistry (15-03-2020)“…HIV-1 CA is involved in different stages of the viral replication cycle, performing essential roles in both early (uncoating, reverse transcription, nuclear…”
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Discovery of Novel Dihydrothiopyrano[4,3‑d]pyrimidine Derivatives as Potent HIV‑1 NNRTIs with Significantly Reduced hERG Inhibitory Activity and Improved Resistance Profiles
Published in Journal of medicinal chemistry (23-09-2021)“…Enlightened by the available structural biology information, a novel series of dihydrothiopyrano[4,3-d]pyrimidine derivatives were rationally designed via…”
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Discovery and Mechanistic Investigation of Piperazinone Phenylalanine Derivatives with Terminal Indole or Benzene Ring as Novel HIV-1 Capsid Modulators
Published in Molecules (Basel, Switzerland) (01-12-2022)“…HIV-1 capsid (CA) performs multiple roles in the viral life cycle and is a promising target for antiviral development. In this work, we describe the design,…”
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Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV‑1 Capsid Inhibitors with Improved Antiviral Activities
Published in Journal of medicinal chemistry (14-05-2020)“…The HIV-1 CA protein has gained remarkable attention as a promising therapeutic target for the development of new antivirals, due to its pivotal roles in HIV-1…”
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Identification of novel diarylpyrimidine derivatives as potent HIV-1 non-nucleoside reverse transcriptase inhibitors against wild-type and K103N mutant viruses
Published in European journal of medicinal chemistry (15-12-2024)“…HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) play a crucial role in combination antiretroviral therapy (cART). To further enhance their…”
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Discovery of novel 1,4-disubstituted 1,2,3-triazole phenylalanine derivatives as HIV-1 capsid inhibitors
Published in RSC advances (2019)“…The HIV-1 capsid (CA) protein plays crucial roles in both early and late stages of the viral life cycle, which has intrigued researchers to target it to…”
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Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors
Published in European journal of medicinal chemistry (15-12-2021)“…HIV-1 capsid (CA) plays indispensable and multiple roles in the life cycle of HIV-1, become an attractive target in antiviral therapy. Herein, we report the…”
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Discovery of novel diarypyrimidine derivatives bearing six-membered non-aromatic heterocycles as potent HIV-1 NNRTIs with improved anti-resistance and drug-like profiles
Published in European journal of medicinal chemistry (05-10-2023)“…Taking our previously reported HIV-1 NNRTIs BH-11c and XJ-10c as lead compounds, series of novel diarypyrimidine derivatives bearing six-membered non-aromatic…”
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Perception, knowledge and attitude towards influenza vaccine during COVID-19 pandemic in Jordanian population
Published in European journal of integrative medicine (01-01-2022)“…Seasonal influenza is considered as one of the major causes of morbidity and mortality worldwide. This needs solutions to decrease burdens on the healthcare…”
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Discovery and optimizing polycyclic pyridone compounds as anti-HBV agents
Published in Expert opinion on therapeutic patents (01-09-2020)“…Hepatitis B disease is caused by the hepatitis B virus (HBV), which is a DNA virus that belongs to the Hepadnaviridae family. It is a considerable health…”
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Exploring the Active Center of the LSD1/CoREST Complex by Molecular Dynamics Simulation Utilizing Its Co-crystallized Co-factor Tetrahydrofolate as a Probe
Published in Journal of chemical information and modeling (26-12-2017)“…Epigenetic targeting of cancer is a recent effort to manipulate the gene without destroying the genetic material. Lysine-specific demethylase 1 (LSD1) is one…”
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Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability
Published in European journal of medicinal chemistry (05-01-2022)“…Further clinical development of PF74, a lead compound targeting HIV-1 capsid, is impeded by low antiviral activity and inferior metabolic stability. By…”
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The effect of ferrous ions, calcium ions and citric acid on absorption of ciprofloxacin across caco-2 cells: practical and structural approach
Published in Drug development and industrial pharmacy (01-02-2019)“…To study the potential influence of selected metal ions on absorption (and hence oral bioavailability of ciprofloxacin (Cipro) in presence and absence of a…”
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The current progress in the use of boron as a platform for novel antiviral drug design
Published in Expert opinion on drug discovery (02-12-2022)“…Boron has attracted extensive interest due to several FDA-approved boron-containing drugs and other pharmacological agents in clinical trials. As a semimetal,…”
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Design, synthesis, and antiviral evaluation of novel piperidine-substituted arylpyrimidines as HIV-1 NNRTIs by exploring the hydrophobic channel of NNIBP
Published in Bioorganic chemistry (01-11-2021)“…[Display omitted] •Novel piperidine-substituted arylpyrimidines were degined.•Compound FT1 displayed the most effective activity.•Pyridine moiety of FT1 was…”
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RNA knockdown by synthetic peptidyl-oligonucleotide ribonucleases: behavior of recognition and cleavage elements under physiological conditions
Published in Journal of biomolecular structure & dynamics (09-04-2021)“…Sequence-specific protein-based ribonucleases are not found in nature. Absolute sequence selectivity in RNA cleavage in vivo normally requires multi-component…”
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Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors
Published in Communications chemistry (29-04-2023)“…HIV-1 reverse transcriptase is one of the most attractive targets for the treatment of AIDS. However, the rapid emergence of drug-resistant strains and…”
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Comparative Molecular Dynamics Simulation of Aggregating and Non‐Aggregating Inhibitor Solutions: Understanding the Molecular Basis of Promiscuity
Published in ChemMedChem (20-03-2018)“…The presence of false positives in enzyme inhibition assays is a common problem in early drug discovery, especially for compounds that form colloid aggregates…”
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Novel in vitro and in vivo anti- Helicobacter pylori effects of pomegranate peel ethanol extract
Published in Veterinary World (01-01-2021)“…Interest in plants with antimicrobial properties has been revived due to emerging problems associated with using antibiotics to eradicate . Accordingly, this…”
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