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238,619 results
  • Potential of NO donor furoxan as SARS-CoV-2 main protease (Mpro) inhibitors: in silico analysis. [Journal Article]
    J Biomol Struct Dyn. 2020 Jul 08 [Online ahead of print]Al-Sehemi AG, Pannipara M, … Tamboli Y
  • The sharp spurt in positive cases of novel coronavirus-19 (SARS-CoV-2) worldwide has created a big threat to human. In view to expedite new drug leads for COVID-19, Main Proteases (Mpro) of novel Coronavirus (SARS-CoV-2) has emerged as a crucial target for this virus. Nitric oxide (NO) inhibits the replication cycle of SARS-CoV. Inhalation of nitric oxide is used in the treatment of severe acute …
  • Natural-like products as potential SARS-CoV-2 Mpro inhibitors: in-silico drug discovery. [Journal Article]
    J Biomol Struct Dyn. 2020 Jul 08 [Online ahead of print]Ibrahim MAA, Abdeljawaad KAA, … Hegazy MF
  • In December 2019, a COVID-19 epidemic was discovered in Wuhan, China, and since has disseminated around the world impacting human health for millions. Herein, in-silico drug discovery approaches have been utilized to identify potential natural products (NPs) as Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro) inhibitors. The MolPort database that contains over 100…
  • Development of non-nucleoside reverse transcriptase inhibitors (NNRTIs): our past twenty years. [Review]
    Acta Pharm Sin B. 2020 Jun; 10(6):961-978.Zhuang C, Pannecouque C, … Chen F
  • Human immunodeficiency virus (HIV) is the primary infectious agent of acquired immunodeficiency syndrome (AIDS), and non-nucleoside reverse transcriptase inhibitors (NNRTIs) are the cornerstone of HIV treatment. In the last 20 years, our medicinal chemistry group has made great strides in developing several distinct novel NNRTIs, including 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT),…
  • Discovery of potent thrombin inhibitors from a protease-focused DNA-encoded chemical library. [Journal Article]
    Proc Natl Acad Sci U S A. 2020 Jul 08 [Online ahead of print]Dawadi S, Simmons N, … Matzuk MM
  • DNA-encoded chemical libraries are collections of compounds individually coupled to unique DNA tags serving as amplifiable identification barcodes. By bridging split-and-pool combinatorial synthesis with the ligation of unique encoding DNA oligomers, million- to billion-member libraries can be synthesized for use in hundreds of healthcare target screens. Although structural diversity and desirabl…
  • Starting or Switching to an Integrase Inhibitor-Based Regimen Affects PTSD Symptoms in Women with HIV. [Journal Article]
    AIDS Behav. 2020 Jul 07 [Online ahead of print]Kamkwalala AR, Wang K, … Rubin LH
  • As the use of Integrase inhibitor (INSTI)-class antiretroviral medications becomes more common to maintain long-term viral suppression, early reports suggest the potential for CNS side-effects when starting or switching to an INSTI-based regimen. In a population already at higher risk for developing mood and anxiety disorders, these drugs may have significant effects on PTSD scale symptom scores,…
  • Water Bridges Play a Key Role in the Affinity and Selectivity for the Malarial Protease Falcipain-2. [Journal Article]
    J Chem Inf Model. 2020 Jul 07 [Online ahead of print]Hernandez Gonzalez JE, Hernández Alvarez L, … Pascutti PG
  • Falcipain-2 (FP-2) is hemoglobinase considered an attractive drug target of Plasmodium falciparum. Recently, it has been shown that peptidomimetic nitriles containing a 3-pyridine (3Pyr) moiety at P2 display high affinity and selectivity for FP-2 with respect to human cysteine cathepsins (hCats). Further characterization demonstrated that certain P3 variants of these compounds possess micromolar …
  • Inhibition of USP14 induces ER stress-mediated autophagy without apoptosis in lung cancer cell line A549. [Journal Article]
    Cell Stress Chaperones. 2020 Jul 06 [Online ahead of print]Moghadami AA, Aboutalebi Vand Beilankouhi E, … Nazari Soltan Ahmad S
  • Non-small cell lung cancer is the most common type of lung cancer, accounting for more than 80% of this tumor. Ubiquitin-specific protease (USP) 14 is one of the 100 deubiquitinating enzymes that is overexpressed in lung cancer and has been validated as a therapeutic target. The aim of this study is to determine whether the accumulation of ubiquitinated proteins results in endoplasmic reticulum (…
  • Green asymmetric synthesis of epoxypeptidomimetics and evaluation as human cathepsin K inhibitors. [Journal Article]
    Bioorg Med Chem. 2020 Aug 01; 28(15):115597.Silva TL, Dos Santos DA, … Vieira PC
  • Cathepsin K (CatK) is a cysteine protease known for its potent collagenolytic activity, being recognized as an important target to the development of therapies for the treatment of bone disorders. Epoxypeptidomimetics have been reported as potent inhibitors of cathepsins, thus in this work we present a green synthesis of new peptidomimetics by using a one-pot asymmetric epoxidation/Ugi multicompo…
  • The Impact of Matrix Metalloproteinase-9 on the Sequential Steps of the Metastatic Process. [Review]
    Int J Mol Sci. 2020 Jun 25; 21(12)Barillari G
  • In industrialized countries, cancer is the second leading cause of death after cardiovascular disease. Most cancer patients die because of metastases, which consist of the self-transplantation of malignant cells in anatomical sites other than the one from where the tumor arose. Disseminated cancer cells retain the phenotypic features of the primary tumor, and display very poor differentiation ind…
  • Sensing HIV Protease and Its Inhibitor Using "Helical Epitope"-Imprinted Polymers. [Journal Article]
    Sensors (Basel). 2020 Jun 25; 20(12)Chou CY, Lin CY, … Tai DF
  • A helical epitope-peptide (lle85-Gly94) was selected from the α-helix structure of the HIV protease (PR) as the template, which represents an intricate interplay between structure conformation and dimerization. The peptide template was mixed with water, trifluoroethanol (TFE), and acetonitrile (ACN) at a certain ratio to enlarge the helical conformation in the solution for the fabrication of heli…
  • Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors. [Journal Article]
    Comput Biol Chem. 2020 Jun 25; 88:107325.Jiménez-Alberto A, Ribas-Aparicio RM, … Castelán-Vega JA
  • The global emergency caused by COVID-19 makes the discovery of drugs capable of inhibiting SARS-CoV-2 a priority, to reduce the mortality and morbidity of this disease. Repurposing approved drugs can provide therapeutic alternatives that promise rapid and ample coverage because they have a documented safety record, as well as infrastructure for large-scale production. The main protease of SARS-Co…
  • Sunflower Trypsin Inhibitor-1 (SFTI-1): Sowing Seeds in the Fields of Chemistry and Biology. [Journal Article]
    Angew Chem Int Ed Engl. 2020 Jul 04 [Online ahead of print]de Veer SJ, White AM, Craik D
  • Nature-derived cyclic peptides have proven to be a vast source of inspiration for advancing modern pharmaceutical design and synthetic chemistry. The focus of this review is sunflower trypsin inhibitor-1 (SFTI-1), one of the smallest disulfide-bridged cyclic peptides found in nature. SFTI-1 has an unusual biosynthetic pathway that begins with a dual-purpose albumin precursor and ends with the pro…
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