Evidence map›Paper›PMID 40257029›Full record

ArticleCurrent drug discovery technologies2025

Pavankumar Krosuri, Mothilal Mohan

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Article in Current drug discovery technologies, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

What it found

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2 · The registry

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3 · Its place in the literature

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4 · The record

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5 · Who and what money

Authors and funding

2 authors.

Pavankumar KrosuriDepartment of Pharmaceutics, SRM College of Pharmacy, SRM Institute of Science and Technology, Kattankulathur, 603 203, Chengalpattu District, Tamil Nadu, India.
Mothilal MohanDepartment of Pharmaceutics, SRM College of Pharmacy, SRM Institute of Science and Technology, Kattankulathur, 603 203, Chengalpattu District, Tamil Nadu, India.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

introductionAngina pectoris, a common cardiovascular condition, necessitates the development of effective therapeutic agents. Nisoldipine, a calcium channel blocker, and its analogues have shown potential in treating this condition. However, the optimization of these compounds for enhanced therapeutic efficacy remains a critical challenge.

objectiveThis study aimed to investigate the therapeutic potential of Nisoldipine analogues through in silico analysis, with the goal of identifying lead compounds for the treatment of angina pectoris and optimizing their formulation for improved solubility and drug release.

methodsEighteen Nisoldipine derivatives were screened using RESULTS AND DISCUSSION: ZINC26826387 emerged as the most promising Nisoldipine analogue, exhibiting superior solubility, absence of AMES toxicity, strong molecular docking interaction with the target protein (docking score of -8.0 kcal/mol), and favourable pharmacokinetic properties. MD simulation confirmed the stability of the ligand-receptor complex. The study also identified 88 target hub genes associated with angina pectoris, with PTGS2 prioritized as a key gene. The nanoparticle formulation of ZINC26826387 significantly enhanced solubility by 2.53-fold compared to the unformulated compound. The optimized nanoparticle tablets achieved a 98.53% drug release within 30 minutes, with an average particle size of 50 nm, entrapment efficiency of 98.89%, and zeta potential of -52 mV, indicating good stability and uniformity.

conclusionThe study demonstrates the therapeutic potential of ZINC26826387, a Nisoldipine analogue, through its enhanced solubility and reduced crystallinity. The lead compound was made into Nanoparticles using Pluronic F407 as carrier. These nanoparticles were further formulated to oral disintegrating tablets for rapid drug release, good stability compared to conventional tablets. These findings suggest that ZINC26826387 could be a promising candidate for the treatment of angina pectoris.

Indexed as

Angina PectorisCalcium Channel BlockersNisoldipineComputer SimulationDrug LiberationHumansMolecular Docking SimulationMolecular Dynamics SimulationNanoparticlesParticle SizeSolubilityCalcium Channel BlockersNisoldipineBox-Behnken designcrystallinitydrug discoverymyocardial ischemia.nanoparticlesNisoldipine analogues

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.