Journal of Chemistry

The Development of Novel Biologically Active Small Molecules 2022

Publishing date
01 Dec 2022
Submission deadline
12 Aug 2022

Lead Editor

1Kafrelsheikh University, Kafrelsheikh, Egypt

2National Research Center, Giza, Egypt

3The University of Sydney, Sydeny, Australia

4University of Florence, Florence, Italy

The Development of Novel Biologically Active Small Molecules 2022


In the current medical era, human health is facing numerous challenges such as cancer, cardiovascular diseases, and infectious diseases like HIV, MDR-tuberculosis, and malaria. Thus, the therapeutic arsenal for several diseases needs to be enriched with novel efficient and safe small molecules that can fight against such diseases.

The development of more effective drugs for treating patients with several diseases had been a major human endeavour over the past 50 years. While the 21st century has produced some promising new directions with plenty of approved drugs, the development of novel robust and viable drug candidates has been saddled with a higher attrition rate due to narrow therapeutic windows or suboptimal efficacy. Subsequently, there is an urgent need to update and modify drug leads from a medicinal chemistry point of view and design drugs to fulfil more effective therapies for human diseases.

To that end, experts in all areas of drug discovery and medicinal chemistry are warmly invited to contribute in this Special Issue to highlight the present state-of-the-art and to report and share their recent achievements in drug design and development. The current Special Issue aims to collect original research articles as well as reviews that disclose the most recent advances in the discovery of natural, semisynthetic, or synthetic small molecules that show promising potential as drug leads for different therapeutic targets. Moreover, this research topic deals with manuscripts concerning with applications of drug targeting and nanotechnology approaches in drug development. This Special Issue welcomes articles that address drug repositioning and that describe the utilization of different approaches of chemoinformatics in Ligand-Based and Structure-Based drug design, such as molecular dynamics simulations, molecular docking, and pharmacophore.

Potential topics include but are not limited to the following:

  • Drug design
  • Pharmaceutical organic synthesis
  • Isolation of biologically active natural products
  • Development of semisynthetic small molecules
  • Nanotechnology applications in medicinal chemistry
  • Applications of molecular dynamics simulations and molecular docking in drug design
  • New methodologies in organic chemistry
  • Application of in silico drug repurposing in drug design and development
  • Design and synthesis of novel anticancer agents
  • Design and synthesis of novel antimicrobial agents
  • Design and synthesis of novel CNS-acting agents
  • Applications of drug targeting approaches


  • Special Issue
  • - Volume 2024
  • - Article ID 5084553
  • - Research Article

Multistaged In Silico Discovery of the Best SARS-CoV-2 Main Protease Inhibitors amongst 3009 Clinical and FDA-Approved Compounds

Ibrahim H. Eissa | Abdulrahman M. Saleh | ... | Ahmed M. Metwaly
  • Special Issue
  • - Volume 2022
  • - Article ID 3567606
  • - Research Article

Evaluation of 3,5-Diphenyl-2-Pyrazolines for Antimitotic Activity by Inhibition of Tubulin Polymerization

Soon Young Shin | Euitaek Jung | ... | Dongsoo Koh
  • Special Issue
  • - Volume 2022
  • - Article ID 1196244
  • - Research Article

1,5-Dichloroethanoanthracene Derivatives As Antidepressant Maprotiline Analogs: Synthesis, DFT Computational Calculations, and Molecular Docking

Mujeeb A. Sultan | Renjith Raveendran Pillai | ... | Rami Adel Pashameah
  • Special Issue
  • - Volume 2022
  • - Article ID 8766625
  • - Research Article

Phytochemical Investigation of Egyptian Riverhemp: A Potential Source of Antileukemic Metabolites

Shimaa M. Abdelgawad | Mona H. Hetta | ... | Samir A. Ross
  • Special Issue
  • - Volume 2022
  • - Article ID 7270094
  • - Research Article

Structure-Based Virtual Screening, Docking, ADMET, Molecular Dynamics, and MM-PBSA Calculations for the Discovery of Potential Natural SARS-CoV-2 Helicase Inhibitors from the Traditional Chinese Medicine

Ahmed M. Metwaly | Alaa Elwan | ... | Ibrahim H. Eissa
  • Special Issue
  • - Volume 2022
  • - Article ID 9261683
  • - Review Article

Metal Complexes in Target-Specific Anticancer Therapy: Recent Trends and Challenges

Gemechu Shumi | Tegene Desalegn | ... | Rajalakshmanan Eswaramoorthy
  • Special Issue
  • - Volume 2022
  • - Article ID 8539918
  • - Research Article

Computational Study of the Phytochemical Constituents from Uncaria tomentosa Stem Bark against SARS-CoV-2 Omicron Spike Protein

Oscar Herrera-Calderon | Abdulrahman M. Saleh | ... | Taoufiq Benali
Journal of Chemistry
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Acceptance rate18%
Submission to final decision133 days
Acceptance to publication14 days
Journal Citation Indicator0.400
Impact Factor3.0
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