Sumit Kumar
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View article: Advancement in modeling of Alzheimer’s disease: a comprehensive review of preclinical screening platforms
Advancement in modeling of Alzheimer’s disease: a comprehensive review of preclinical screening platforms Open
Alzheimer’s disease (AD) is a chronic and progressive neurodegenerative condition that worsens with time and causes memory loss and cognitive impairment. For prompt intervention and management of AD, early detection is essential. Screening…
View article: Emerging threats of H5N1 clade 2.3.4.4b: cross-species transmission, pathogenesis, and pandemic risk
Emerging threats of H5N1 clade 2.3.4.4b: cross-species transmission, pathogenesis, and pandemic risk Open
H5N1 is a highly pathogenic avian influenza virus (HPAIV) with zoonotic potential, posing a significant risk to animal health, agriculture, and human public health. A particular strain, clade 2.3.4.4b, has spread globally and has been dete…
View article: Network pharmacology and in silico investigation into the therapeutic potential of phytoconstituents of Peucedanum ostruthium as anti-tubercular agents
Network pharmacology and in silico investigation into the therapeutic potential of phytoconstituents of Peucedanum ostruthium as anti-tubercular agents Open
Mycobacterium tuberculosis is the causative agent of tuberculosis (TB) globally. Despite significant progress in biomedical research, novel treatment strategies, and preventative measures, the incidence rates of TB continue to rise. Peuced…
View article: Targeting Plasmodium falciparum: Synthesis and evaluation of Phthalimide-HEA derivatives
Targeting Plasmodium falciparum: Synthesis and evaluation of Phthalimide-HEA derivatives Open
We demonstrated a facile microwave-assisted synthesis of 16 novel phthalimide (Pht)-hydroxyethylamine (HEA)-based compounds isolated without tedious column chromatography. Among all the tested compounds, 3b, 3f, and 3h displayed 50% inhibi…
View article: Deciphering the Electrostatic and Structural dynamics due to point Mutation in DNA gyrase leading to acquired Quinolone resistance in Mycobacterium tuberculosis
Deciphering the Electrostatic and Structural dynamics due to point Mutation in DNA gyrase leading to acquired Quinolone resistance in Mycobacterium tuberculosis Open
The structural bioinformatics analysis approach provides valuable information regarding the protein’s structure and function by analyzing the contribution of each and every amino acid residue present in its active site. Residue substitutio…
View article: Synthesis and Evaluation of Fluorinated Piperazine‐Hydroxyethylamine Analogues as Potential Antiplasmodial Candidates
Synthesis and Evaluation of Fluorinated Piperazine‐Hydroxyethylamine Analogues as Potential Antiplasmodial Candidates Open
In this manuscript, twenty‐one novel fluorinated piperazine‐hydroxyethylamine analogues were synthesized and tested against Plasmodium falciparum ( Pf ). Among tested compounds, two 13 g and 14 g exhibited promising inhibitory activity on …
View article: Pathway Circuit Mapping for Drug Repurposing: CoV-DrugX Tool Sheds Light on Therapeutic Opportunities
Pathway Circuit Mapping for Drug Repurposing: CoV-DrugX Tool Sheds Light on Therapeutic Opportunities Open
The fight against new diseases like COVID-19 demands creative ways to find and reuse existing drugs. This article examines how scientists are rethinking drug use by focusing on cellular pathways as a guide to finding new treatments. A key …
View article: Phenotypic screening reveals a highly selective phthalimide-based compound with antileishmanial activity
Phenotypic screening reveals a highly selective phthalimide-based compound with antileishmanial activity Open
Pharmacophores such as hydroxyethylamine (HEA) and phthalimide (PHT) have been identified as potential synthons for the development of compounds against various parasitic infections. In order to further advance our progress, we conducted a…
View article: A Case Report with Imaging Features of Labyrinthitis Ossificans in an Adult Male
A Case Report with Imaging Features of Labyrinthitis Ossificans in an Adult Male Open
Labyrinthitis ossificans (LO) is a pathological condition that results in the ossification of the inner ear structures. It occurs mainly due to infection and inflammation with the former being a more common cause. It may occur in patients …
View article: Synthesis of novel phthalimide-based piperazine conjugated analogs as anti-malarial agents
Synthesis of novel phthalimide-based piperazine conjugated analogs as anti-malarial agents Open
In the present report, we synthesized twelve novel phthalimide analogs and evaluated for antiplasmodial efficacy on Plasmodium falciparum culture. Two molecules exhibited significant inhibition percentages at 1 µM concentration without any…
View article: A Clinical Insight on New Discovered Molecules and Repurposed Drugs for the Treatment of COVID-19
A Clinical Insight on New Discovered Molecules and Repurposed Drugs for the Treatment of COVID-19 Open
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) began churning out incredulous terror in December 2019. Within several months from its first detection in Wuhan, SARS-CoV-2 spread to the rest of the world through droplet infect…
View article: Recent updates on the biological efficacy of approved drugs and potent synthetic compounds against SARS-CoV-2
Recent updates on the biological efficacy of approved drugs and potent synthetic compounds against SARS-CoV-2 Open
The role of functional group in discovery of Nirmatrelvir is valuable and interesting for development of various inhibitors against viral diseases.
View article: Networkodynamic approach to perceive the key phytoconstituents of <i>E. officinalis</i> (Amla) as natural BACE1 inhibitors: an <i>in-silico</i> study
Networkodynamic approach to perceive the key phytoconstituents of <i>E. officinalis</i> (Amla) as natural BACE1 inhibitors: an <i>in-silico</i> study Open
Alzheimer’s disease (AD) is a deteriorating neural disorder, and currently, available drugs are ineffective in its treatment. Emblica officinalis (Amla) is widely recognised in the Indian medicinal system for ameliorative effects in managi…
View article: Variations in the Yamuna River Water Quality During the COVID-19 Lockdowns
Variations in the Yamuna River Water Quality During the COVID-19 Lockdowns Open
The COVID-19 pandemic that emerged in Wuhan city of China in December 2019 has adversely impacted the health and the economy, society, and other significant spheres of the human environment. The pandemic has severely impacted economic acti…
View article: A novel compound active against SARS-CoV-2 targeting uridylate-specific endoribonuclease (NendoU/NSP15): <i>in silico</i> and <i>in vitro</i> investigations
A novel compound active against SARS-CoV-2 targeting uridylate-specific endoribonuclease (NendoU/NSP15): <i>in silico</i> and <i>in vitro</i> investigations Open
A novel hydroxyethylamine compound was synthesised that displayed biological potency against SARS-CoV-2.
View article: Phthalimide analogs for antimalarial drug discovery
Phthalimide analogs for antimalarial drug discovery Open
Potent phthalimide-based antiplasmodial compounds are active at different stages of the Plasmodium falciparum life cycle.
View article: Experimental and Computational Studies of Microwave-Assisted, Facile Ring Opening of Epoxide with Less Reactive Aromatic Amines in Nitromethane
Experimental and Computational Studies of Microwave-Assisted, Facile Ring Opening of Epoxide with Less Reactive Aromatic Amines in Nitromethane Open
Nucleophilic ring opening reactions of epoxides with aromatic amines are in the forefront of the synthetic organic chemistry research to build new bioactive scaffolds. Here, convenient, green, and highly efficient regioselective ring openi…
View article: Discovery of New Hydroxyethylamine Analogs against 3CL <sup>pro</sup> Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation, and Structure–Activity Relationship Studies
Discovery of New Hydroxyethylamine Analogs against 3CL <sup>pro</sup> Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation, and Structure–Activity Relationship Studies Open
The novel coronavirus, SARS-CoV-2, has caused a recent pandemic called COVID-19 and a severe health threat around the world. In the current situation, the virus is rapidly spreading worldwide, and the discovery of a vaccine and potential t…
View article: Discovery of New Hydroxyethylamine Analogs Against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation and Structure-Activity Relationship Studies
Discovery of New Hydroxyethylamine Analogs Against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation and Structure-Activity Relationship Studies Open
A novel coronavirus, SARS-CoV-2 has caused a recent pandemic called COVID-19 and a severe health threat around the world. In the current situation, the virus is rapidly spreading worldwide, and the discovery of vaccine and potential thera…
View article: Discovery of New Hydroxyethylamine Analogs Against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation and Structure-Activity Relationship Studies
Discovery of New Hydroxyethylamine Analogs Against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation and Structure-Activity Relationship Studies Open
A novel coronavirus, SARS-CoV-2 has caused a recent pandemic called COVID-19 and a severe health threat around the world. In the current situation, the virus is rapidly spreading worldwide, and the discovery of vaccine and potential therap…
View article: Catalyst Free, Nitromethane Assisted Facile Ring Opening of Epoxide with Less Reactive Aromatic Amines
Catalyst Free, Nitromethane Assisted Facile Ring Opening of Epoxide with Less Reactive Aromatic Amines Open
Nucleophilic ring opening reactions of epoxides with aromatic amines are in the forefront of the synthetic organic chemistry research to build new bioactive scaffolds. Here, a convenient, green and highly efficient regioselective ring open…
View article: NeuroPIpred: a tool to predict, design and scan insect neuropeptides
NeuroPIpred: a tool to predict, design and scan insect neuropeptides Open
Insect neuropeptides and their associated receptors have been one of the potential targets for the pest control. The present study describes in silico models developed using natural and modified insect neuropeptides for predicting and desi…
View article: Theoretical and experimental studies of an oseltamivir–triazole-based thermoresponsive organogel
Theoretical and experimental studies of an oseltamivir–triazole-based thermoresponsive organogel Open
Low-molecular weight organic gelators have been of significant interest in recent years because of their interesting properties and potential applications in sensing technology, biomedicine and drug delivery.