Letters in Drug Design & Discovery - Volume 16, Issue 4, 2019

Background: Pneumococcal conjugate vaccines (PCVs) in the past, have been constructed via chemical coupling of pneumococcal capsules to immunogenic carrier proteins. The PCVs implementation in developing countries was prevented by their high manufacturing costs. This issue can be overcome via the development of protein-based vaccines against pneumococci. Choline binding protein D (CBPD), fibronectin binding Read More

Background: The present work describes antimicrobial, antimycobacterium and anti HIV-1 evaluation of newly synthesized 5-(4-Substituted-benzylidene)-3-[4-(5-methyl-benzothiazol- 2-yl)-phenyl]-2-phenyl-3,5-dihydro-imidazol-4-one (4a-o). The docking studies were performed in order to predict the potential binding affinities. Objective: The major aim of this study is to develop the new class of bezylidine candidate clubbed Read More

Background: The main factor for the prolongation of the ulcer treatment in the gastrointestinal system would be Helicobacter pylori infection, which can possibly lead to gastrointestinal cancer. Triple therapy is the treatment of choice by today's standards. However, observed resistance among the bacterial strains can make the situation even worse. Therefore, there is a need to discover new targeted antibacterial therapy in ord Read More

Background: Indazoleacetic acids and their pharmaceutically acceptable salts have been claimed to be useful as anti-inflammatory, analgesic and antipyretic agents. They are active in the treatment of respiratory diseases such as asthma, bronchitis, allergies and obstructive pulmonary diseases. Objectives: We report herein a feasible study concerned about the design, synthesis, structure and in vitro antimicrobial activit Read More

Background: Nigella sativa L. (N. sativa) has been reported to have biological activities such as anti-bacterial, anti-inflammatory, anti-oxidant and anti-fungal activities. Objective: This study aims to develop N. Sativa colloidal-emulgel with the evaluation of its antibacterial, anti-oxidant and in-vivo irritation and sensation testing. Method: Colloidal-emulgel formulations were prepared for N. sativa using different surfactants (Sodi Read More

Background: Malaria Parasite relies heavily on signal transduction pathways to control growth, the progression of the life cycle and sustaining stress for its survival. Unlike kinases, Plasmodium's phosphatome is one of the smallest and least explored for identifying drug target for clinical intervention. PF14_0660 is a putative protein present on the chromosome 14 of Plasmodium falciparum genome. Methods: Multiple seq Read More

Background: In this study, some aryl (5-chloro-benzofuran-2-yl) ketoximes and their ethers were synthesised to evaluate their antifungal activity against C. albicans, C. glabrata, C. krusei, and C. parapsilosis. Methods: The structure elucidation of the compounds was performed by IR, 1H-NMR, 13C-NMR and HR-MS spectroscopic data. ADME parameters of synthesised compounds 2a-2d, 3a-3d, 4a-4d were predicted by an in-silic Read More

Background: Cancer is a major cause of mortality and morbidity and given the limitations of many current cancer drugs, there is great need to discover and develop novel treatments. An alternative to the conventional drug discovery path is to exploit new classes of natural compounds such as cyclotides. This peptide family is characterized by linked C- and N-termini and a structural fold called the cyclic cystine knot (CCK). Th Read More

Background: Thiosemicarbazones and its derivatives received a great pharmaceutical importance due to their prominent biological activities. Methods: A series of disubstituted thiosemicarbazone derivatives (1-12) were designed and synthesized as pure compounds in good yield. All the synthesized compounds were analyzed by spectral data. The anticancer activity of all the compounds was performed against breast can Read More

Background: Hepatitis C Virus (HCV) infection is the major cause of hepatitis after transfusion. And HCV Nonstructural Protein 5A (NS5A) inhibitors have become a new hotspot in the study of HCV inhibitors due to their strong antiviral activity, rapid speed of viral removing and broad antiviral spectrum. Methods: Forty-five NS5A inhibitors were chosen to process three-dimensional quantitative structure- activity relationship (3D- Read More

Background: Superficial fungal infections are the most common fungal diseases in humans, affecting more than 25% of the population worldwide. Methods: In the present study, we have investigated the activity of kakuol, a natural compound isolated from the rhizomes of Asarum sieboldii, and some analogues, against various dermatophytes and pharmacologically relevant yeasts. Results: One of the tested compounds, 2-acrylo Read More

Background: Catecholamines combined with boric/boronic acids are attractive chemical agents in drug design because some of their adducts have shown interesting biological activity. Scant information exists about their stability. Objective: The aim of the present theoretical study was to explore the role of boron in molecules that combine catecholamines and boric/boronic acids, with a particular interest in examining stability. Met Read More