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Last update 23 Jan 2025

PANK1

Last update 23 Jan 2025

Basic Info

Synonyms

hPanK, hPanK1, MGC24596

+ [6]

Introduction

Catalyzes the phosphorylation of pantothenate to generate 4'-phosphopantothenate in the first and rate-determining step of coenzyme A (CoA) synthesis.

Drugs associated with PANK1

CAB-1803

Target

PANK1

Mechanism

PanK modulators

Active Org.

TM3 Therapeutics

Originator Org.

Acies Bio Ltd.

Active Indication

Pantothenate Kinase-Associated Neurodegeneration

Inactive Indication-

Drug Highest PhasePreclinical

First Approval Ctry. / Loc.-

First Approval Date20 Jan 1800

PZ-2891

Target

PANK1

Mechanism

PanK agonists

Active Org.

Nurix Therapeutics, Inc.

Originator Org.

St. Jude Children's Research Hospital, Inc.

Active Indication

Pantothenate Kinase-Associated Neurodegeneration

Inactive Indication-

Drug Highest PhasePreclinical

First Approval Ctry. / Loc.-

First Approval Date20 Jan 1800

Claziprotamide

Target

PANK1 x PANK2

Mechanism

PANK2 agonists [+1]

Active Org.-

Originator Org.

CoA Therapeutics, Inc.Startup

Active Indication

Pantothenate Kinase-Associated Neurodegeneration

Inactive Indication

Acidaemia [+2]

Drug Highest PhasePreclinical

First Approval Ctry. / Loc.-

First Approval Date20 Jan 1800

Clinical Trials associated with PANK1

NCT04836494

/ TerminatedPhase 1

A First-in-human, Randomized, Placebo-controlled, Single and Multiple Ascending Dose Escalation to Evaluate the Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of BBP-671 in Healthy Subjects and In Patients With Propionic Acidemia or Methylmalonic Acidemia

The purpose of this study is to assess the safety, tolerability, PK and PD of BBP-671 in healthy volunteers and patients with Propionic Acidemia or Methylmalonic Acidemia.

Start Date25 Mar 2021

Sponsor / Collaborator

CoA Therapeutics, Inc.Startup

100 Clinical Results associated with PANK1

100 Translational Medicine associated with PANK1

0 Patents (Medical) associated with PANK1

277

Literatures (Medical) associated with PANK1

11 Feb 2025·Journal of Biomolecular Structure and Dynamics

In vitro and in silico exploration of newly synthesized triazolyl- isonicotinohydrazides as potent antitubercular agents

Article

Author: Kulkarni, Ravibhushan S. ; Rekha, Estharla Madhu ; Rathod, Sanket S. ; Bakale, Rajubai D. ; Phatak, Pramod S. ; Sriram, Dharmarajan ; Haval, Kishan P. ; Choudhari, Prafulla B.

In the present study, we have reported the synthesis of novel isoniazid-triazole derivatives (4a-r), via the click chemistry approach. The synthesized isoniazid-triazole derivatives have potent in vitro antitubercular activity against the Mycobacterium tuberculosis (MTB) H37Rv strain. Among these compounds, 4b, 4f, 4g, 4j, 4k, 4m, 4o, 4p, and 4r were found to be the most active ones with a MIC value of 0.78 μg/mL. This activity is better than ciprofloxacin (MIC value = 1.56 μg/mL) and ethambutol (MIC value = 3.12 μg/mL). The compounds, 4a, 4c, 4d, 4e, 4h, 4i, 4l, and 4n have displayed activity equal to ciprofloxacin (MIC value = 1.56 μg/mL). The cytotoxicity of the active isoniazid-triazole derivatives was studied against RAW 264.7 cell line by MTT assay at 25 μg/mL concentration and no toxicity was observed. Moreover, in-vitro results were supported by in-silico studies with the known antitubercular target (PanK). The drug-likeness, density functional study, molecular docking, and molecular dynamics simulation studies of isoniazid-triazole derivatives validated the ability to form a stable complex with Pantothenate kinase (PanK), which will result in inhibiting the Pantothenate kinase (PanK). Therefore, the results obtained indicate that this class of compounds may offer candidates for future development, and positively provide drug alternatives for tuberculosis treatment.Communicated by Ramaswamy H. Sarma.

20 Dec 2024·Journal of Biomolecular Structure and Dynamics

Oxazoline/amide derivatives against M. tuberculosis : experimental, biological and computational investigations

Article

Author: Kandagalla, Shivanada ; Singh, Ankit Kumar ; Kumar Sah, Vimlendu ; Pathak, Prateek ; Grishina, Maria ; Verma, Om Prakash ; Chandra, Phool ; Kumar, Pradeep ; Bajpai, Priyanka

Tuberculosis (TB) is a treatable contagious disease that continuously kills approximately 2 million people yearly. Different oxazoline/amide derivatives were synthesized, and their anti-tuberculosis activity was performed against different strains of Mtb. This study designed the anti-Mtb compounds based on amide and oxazoline, two different structural moieties. The compounds were further synthesized and characterized by spectral techniques. Their anti-Tb activity was evaluated against strain (M. tuberculosis: H37Rv). Selectivity and binding affinity of all synthesized compounds (2a-2e, 3a-3e) against PanK in Mtb were investigated through molecular docking. Molecular dynamics simulation studies for the promising compounds 2d and 3e were performed for 100 ns. The stability of these complexes was assessed by calculating the root mean square deviation, solvent-accessible surface area, and gyration radius relative to their parent structures. Additionally, free energy of binding calculations were performed. Among all synthesized compounds, 2d and 3e had comparable antitubercular activity against standard drug, validated by their computational and biological study.

06 Dec 2024·Journal of Biomolecular Structure and Dynamics

Lead identification against Mycobacterium tuberculosis using highly enriched active molecules against pantothenate synthetase

Article

Author: Tariq, Muhammad ; Hassam, Muhammad ; Uddin, Reaz ; Jalal, Khurshid ; Khan, Kanwal ; Tarique Moin, Syed

The Pantothenate synthetase (PS) from the Mycobacterium tuberculosis (Mtb) holds a crucial role in the survival and robust proliferation of bacteria through its catalysis of coenzyme A and acyl carrier protein synthesis. The present study undertook the PS drug target in complex with a co-crystallized ligand and subjected it to docking and virtual screening approaches. The experimental design encompassed three discrete datasets: an active dataset featuring 136 compounds, an inactive dataset comprising 56 compounds, and a decoys dataset curated from the zinc library, comprising an extensive compilation of approximately 53,000 compounds. The compounds' binding energies were observed to be in the range of -5 to ∼-14 kcal/mol. Additionally, binding energy results were further refined through Enrichment Factor analysis (EF). EF is a new statistical approach which uses the scores obtained from docking-based virtual screening and predicts the precision of the scoring function. Remarkably, the Enrichment Factor (EF) analysis produced exceptionally favorable outcomes, attaining an EF of approximately 49% within the uppermost 1% fraction of the compound distribution. Finally, a total of eight compounds, evenly distributed between the active dataset and the decoys dataset, emerged as potent inhibitors of the Pantothenate synthetase (PS) enzyme. The analysis of inhibition constants and binding energy revealed a notable correlation, with an r-squared value (r²) of 0.912 between the two parameters. Furthermore, the shortlisted compounds were subjected to 100 ns MD simulation to determine their stability and dynamics behavior. The decoy compounds that have been identified, exhibiting properties comparable to the active compounds, are postulated as potential candidates for targeting the Pantothenate synthetase (PS) enzyme to treat Mtb infection. Nevertheless, in the pursuit of a comprehensive investigation, it is advisable to undertake additional experimental validation as a component of the subsequent study.Communicated by Ramaswamy H. Sarma.

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