ijms-logo

Journal Browser

Journal Browser

Emerging Strategies in Tuberculosis Drug Discovery

A Special Issue of International Journal of Molecular Sciences (ISSN 1422-0067) belonging to the section "Molecular Pharmacology".

Deadline for manuscript submissions: 25 December 2026 | Viewed by 1095

Editor


E-Mail Website
Guest Editor
School of Chemistry, University of KwaZulu-Natal, Durban, South Africa
Interests: organic synthesis; medicinal chemistry; computational chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Tuberculosis (TB), caused by Mycobacterium tuberculosis, remains one of the leading causes of death from infectious disease worldwide. The global rise in multidrug-resistant (MDR) and extensively drug-resistant (XDR) TB has rendered many frontline therapies ineffective, underscoring the urgent need for innovative drug discovery strategies. Despite recent advancements, TB drug development continues to face significant challenges, including the pathogen’s complex biology and persistence mechanisms, as well as the lengthy treatment regimens required for effective cure.

This Special Issue, “Emerging Strategies in Tuberculosis Drug Discovery”, aims to showcase cutting-edge scientific and technological advances in the ongoing fight against tuberculosis. We welcome original contributions focused on novel small molecules, repurposed drugs, hybrid pharmacophores, and structure-based drug design. Studies detailing innovative synthetic approaches, high-throughput screening, computational modeling, target validation, and mechanism-of-action elucidation are encouraged. Submissions addressing pharmacokinetics, drug resistance mechanisms, and in vivo efficacy of potential anti-TB agents are also invited.

By bringing together interdisciplinary research efforts, this Special Issue seeks to provide a comprehensive overview of cutting-edge developments that may accelerate the discovery of safe, effective, and affordable anti-tuberculosis agents. We welcome original research articles, reviews, and short communications that contribute to the advancement of TB therapeutics.

Dr. Parvesh Singh
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-anonymized peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • anti-tuberculosis agents
  • MDR-TB
  • XDR-TB
  • drug repurposing
  • hybrid drugs
  • high-throughput screening
  • structure-based drug design
  • drug discovery

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.

Further information on MDPI's Special Issue policies can be found here.

Published Papers (1 paper)

Order results
Result details
Select all
Export citation of selected articles as:

Research

25 pages, 3340 KB  
Article
Development of Isoniazid–Pyrazole Hybrids as Potential Antitubercular Agents
by Mukanda Gedeon Kadima, Vinayak Singh, Gobind Kumar, Sahil Mishra, Pule Seboletswe, Ankit, Afsana Kajee, Françoise Roquet-Banères, Laurent Kremer, Rajshekhar Karpoormath and Parvesh Singh
Int. J. Mol. Sci. 2026, 27(10), 4385; https://doi.org/10.3390/ijms27104385 - 14 May 2026
Viewed by 669
Abstract
A series of INH–pyrazole molecular hybrids (6ao) was synthesized and evaluated for in vitro anti-tubercular activity against drug-susceptible, multidrug-resistant (MDR), and extensively drug-resistant (XDR) Mycobacterium tuberculosis strains, alongside their corresponding precursors (4ao), using isoniazid (INH) [...] Read more.
A series of INH–pyrazole molecular hybrids (6ao) was synthesized and evaluated for in vitro anti-tubercular activity against drug-susceptible, multidrug-resistant (MDR), and extensively drug-resistant (XDR) Mycobacterium tuberculosis strains, alongside their corresponding precursors (4ao), using isoniazid (INH) as the reference drug. Overall, the hybrid compounds exhibited inhibitory activity comparable to or exceeding that of INH against the drug-susceptible strain. Among the series, compounds 6a, 6d6f, and 6m demonstrated the highest potency, with a minimum inhibitory concentration (MIC) of 0.9 µM, corresponding to an approximately 4.3-fold enhancement relative to INH. Compounds 6b,c, 6gi, and 6l,m also showed noticeable activity (MIC = 1.95 µM), representing an approximate twofold improvement over INH and significantly outperforming their respective precursors. Notably, compound 6o exhibited enhanced activity against the XDR strain (MIC = 121 µM), reflecting an approximately 2.8-fold improvement compared to precursor 4o (MIC > 341 µM), thereby highlighting the advantage of molecular hybridization. However, all compounds displayed diminished activity relative to INH against the resistant strains. Against the MDR strain, compounds 4h, 6e, and 6g displayed measurable activity, with MIC values of 76, 125, and 112 µM, respectively. Cytotoxicity assessment using THP-1 human monocytic cells revealed low toxicity, with all tested compounds maintaining acceptable cell viability at 10 µg/mL. In addition, in silico ADME analysis indicated that the hybrid molecules comply with key drug-likeness criteria. Collectively, these findings suggest that INH–pyrazole hybrids represent promising lead scaffolds for the development of next-generation anti-tubercular agents. Full article
(This article belongs to the Special Issue Emerging Strategies in Tuberculosis Drug Discovery)
Show Figures

Graphical abstract

Back to TopTop