Skip to Content
You are currently on the new version of our website. Access the old version .

10 Results Found

  • Proceeding Paper
  • Open Access
146 Views
10 Pages

Fetal bovine serum (FBS) is the most widely used supplement in cell culture; however, ethical and environmental concerns have driven the search for alternatives. Adult bovine serum (ABS) is one of the promising substitutes. Here, we evaluated complet...

  • Article
  • Open Access
22 Citations
4,513 Views
7 Pages

Practical High-Throughput Method to Screen Compounds for Anthelmintic Activity against Caenorhabditis elegans

  • Aya C. Taki,
  • Joseph J. Byrne,
  • Peter R. Boag,
  • Abdul Jabbar and
  • Robin B. Gasser

In the present study, we established a practical and cost-effective high throughput screening assay, which relies on the measurement of the motility of Caenorhabditis elegans by infrared light-interference. Using this assay, we screened 14,400 small...

(This article belongs to the Special Issue Phenotypic Screening)
  • Article
  • Open Access
174 Views
39 Pages

Structure-Guided Discovery of Novel Alternative Substrates for Mycobacterial Baeyer–Villiger Monooxygenase, EthA Through Integrated Computational and Biophysical Characterization

  • Aniket Walia,
  • Rinki Sisodia,
  • Manurbhav Arya,
  • Bhaskar Sharma and ,
  • Saloni Vohra,
  • Pooja Anjali Mazumdar and
  • Chaithanya Madhurantakam
  • + 2 authors+ 0 author

29 October 2026

The Mycobacterium tuberculosis enzyme EthA (Rv3854c) impacts the survival of mycobacterial cells by converting inactive precursors of second-line anti-tubercular drugs like ethionamide (ETH) to an active form. This potentially inhibits cell wall myco...

(This article belongs to the Special Issue Recent Advances in Enzyme Structure, Dynamics, and Function)
  • Article
  • Open Access
6 Citations
4,538 Views
12 Pages

Antibacterial discovery efforts have lagged far behind the need for new antibiotics. An approach that has gained popularity recently is targeting bacterial phospholipid membranes. We leveraged the differences between bacterial and mammalian phospholi...

  • Article
  • Open Access
7 Citations
6,141 Views
24 Pages

Computational Design of Novel Allosteric Inhibitors for Plasmodium falciparum DegP

  • Sadaf Shehzad,
  • Rajan Pandey,
  • Pawan Malhotra and
  • Dinesh Gupta

The serine protease, DegP exhibits proteolytic and chaperone activities, essential for cellular protein quality control and normal cell development in eukaryotes. The P. falciparum DegP is essential for the parasite survival and required to combat th...

  • Article
  • Open Access
1 Citations
2,081 Views
21 Pages

In Silico Identification of Potential Antagonists Targeting the HPV16 E2-E1 Interaction: A Step Toward Novel Therapeutics for Cervical Cancer

  • Jesús Alonso Gandara-Mireles,
  • Verónica Loera Castañeda,
  • Julio Cesar Grijalva Ávila,
  • Ignacio Villanueva Fierro and ,
  • Cynthia Mora Muñoz,
  • Hugo Payan Gándara,
  • Guadalupe Antonio Loera Castañeda,
  • Leslie Patrón Romero and
  • Horacio Almanza Reyes
  • + 4 authors+ 0 author

Human papillomavirus (HPV) infection is the most prevalent sexually transmitted disease, and a primary cause of persistent infection leading to cervical cancer (CC). CC remains one of the most common malignancies among women worldwide, with approxima...

(This article belongs to the Special Issue Molecular Biology in Drug Design and Precision Therapy)
  • Article
  • Open Access
672 Views
22 Pages

Background: Skeletal muscle (SM) plays a critical role in movement, metabolism, and organ protection, with its maintenance and regeneration relying on muscle satellite (stem) cells (MSCs). Prostaglandin E2 (PGE2) regulates MSCs, but PGE2 levels decli...

(This article belongs to the Special Issue In Silico Approaches of Drug–Target Interactions)
  • Article
  • Open Access
579 Views
25 Pages

Multiclass Machine Learning-Based Discovery of Novel Scaffold Inhibitors Targeting ALK

  • Md Azizul Haque,
  • Qazi Mohammad Sajid Jamal,
  • Khurshid Ahmad,
  • Reem Binsuwaidan and ,
  • Nawaf Alshammari,
  • Mohd Saeed,
  • Jong-Joo Kim and
  • Danishuddin
  • + 3 authors+ 0 author

1 August 2026

Background: Anaplastic Lymphoma Kinase (ALK) is an oncogenic receptor tyrosine kinase implicated in several cancers. Despite the clinical success of ALK inhibitors, acquired resistance continues to drive the search for novel chemotypes. We developed...

(This article belongs to the Special Issue Artificial Intelligence: New Molecules, Therapeutic Targets and Discovery of New Drugs)
  • Article
  • Open Access
15 Citations
5,101 Views
24 Pages

20 February 2021

The ongoing coronavirus pandemic has been a burden on the worldwide population, with mass fatalities and devastating socioeconomic consequences. It has particularly drawn attention to the lack of approved small-molecule drugs to inhibit SARS coronavi...

(This article belongs to the Section Molecular Structure)
  • Article
  • Open Access
4 Citations
2,438 Views
23 Pages

Rational Approach to New Chemical Entities with Antiproliferative Activity on Ab1 Tyrosine Kinase Encoded by the BCR-ABL Gene: An Hierarchical Biochemoinformatics Analysis

  • Vitor H. da S. Sanches,
  • Cleison C. Lobato,
  • Luciane B. Silva,
  • Igor V. F. dos Santos and ,
  • Elcimar de S. Barros,
  • Alexandre de A. Maciel,
  • Elenilze F. B. Ferreira,
  • Kauê S. da Costa,
  • José M. Espejo-Román and
  • Cleydson B. R. Santos
  • + 7 authors+ 2 authors

6 November 2024

Background: This study began with a search in three databases, totaling six libraries (ChemBridge-DIVERSet, ChemBridge-DIVERSet-EXP, Zinc_Drug Database, Zinc_Natural_Stock, Zinc_FDA_BindingDB, Maybridge) with approximately 2.5 million compounds with...

(This article belongs to the Section Medicinal Chemistry)