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ArticleAdvances in experimental medicine and biology2026

Exploring Therapeutic and Multitarget Mechanism of Molsidomine on Cerebral Ischemia: Molecular Docking and Multifaceted In Silico Study.

Sohini Chakraborty, Akash Bhati, Krishna Sanka, Vijay Chidrawar, Raghavendra Mitta, Vinyas Mayasa, Raghavendra Babu Nayaka, Padmavathi Yenumula, Satarupa Banerjee, Vimal Arora and 1 more

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Article in Advances in experimental medicine and biology, 2026. 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

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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

11 authors.

Sohini ChakrabortyDepartment of Biotechnology, School of Biosciences and Technology, Vellore Institute of Technology, Vellore, Tamilnadu, India.
Akash BhatiUniversity Institute of Pharma Sciences, Chandigarh University, Mohali, Punjab, India.
Krishna SankaDepartment of Pharmaceutics, School of Pharmacy and Technology Management (SPTM), SVKM's Narsee Monjee Institute of Management Studies (NMIMS), Deemed to be University, Shirpur, Maharashtra, India.
Vijay ChidrawarSchool of Pharmacy and Technology Management, SVKM's Narsee Monjee Institute of Management Studies (NMIMS), Deemed-to-university, Green Industrial Park, TSIIC, Jadcherla, Hyderabad, Telangana, India.
Raghavendra MittaDepartment of Pharmaceutical Sciences, School of Biotechnology and Pharmaceutical Sciences, Vignan's Foundation for Science, Technology & Research (Deemed to be University), Vadlamudi, Guntur, Andhra Pradesh, India.
Vinyas MayasaDepartment of Pharmacology, GITAM School of Pharmacy, GITAM Deemed to be University, Hyderabad, Telangana, India.
Raghavendra Babu NayakaDepartment of Pharmaceutical Analysis, G.Pulla Reddy College of Pharmacy, Mehdipatnam, Hyderabad, Telangana, India.
Padmavathi YenumulaDepartment of Pharmaceutical Analysis, G.Pulla Reddy College of Pharmacy, Mehdipatnam, Hyderabad, Telangana, India.
Satarupa BanerjeeDepartment of Biotechnology, School of Biosciences and Technology, Vellore Institute of Technology, Vellore, Tamilnadu, India.
Vimal AroraUniversity Institute of Pharma Sciences, Chandigarh University, Mohali, Punjab, India.
Hemanth Kumar BoyinaUniversity Institute of Pharma Sciences, Chandigarh University, Mohali, Punjab, India.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The innate immune response is started immediately following brain ischemia, resulting in adaptive immunity. More and more experimental evidence has indicated that the immune response caused by cerebral ischemia plays a crucial role during the initial brain damage and subsequent brain injury recovery. Molsidomine, a nitric oxide donor, has been found to reduce schizophrenia-like behavioral abnormalities in rats due to glutamate hypofunction. The current study sought to explore the efficacy of molsidomine versus conventional drugs in cerebral ischemia. This study scavenges literature to retrieve various genes like PI3K, MMP9, COX2, LOX, TLR4, AKT1, mTOR, NLRP3, STAT3, IL1β, NFκB, TNF, IL6, and TP53 involved in cerebral ischemia. A two-step molecular docking revealed significant gene-drug complexes followed by a protein-protein interaction (PPI). Additionally, oncoprint analysis, protein-protein interaction, and functional and pathway enrichment associated with these genes and a circos plot depicting the mutational profile of the genes are incorporated in this study. This comprehensive in-silico approach reveals the efficacy of the potency of the candidate drug, molsidomine in treating cerebral ischemia.

Indexed as

Brain IschemiaMolecular Docking SimulationNeuroprotective AgentsAnimalsComputer SimulationHumansProtein Interaction MapsSignal TransductionNeuroprotective AgentsCerebral ischemiaGene ontologyMolecular dockingMolsidomineSTRING

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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.