Manisha Mandal
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View article: Molecular docking, molecular dynamics simulation and MM-PB/GBSA analysis for the inhibition of Klebsiella pneumoniae SHV-1 β-lactamase using antimicrobial peptides defensin VvK1 and snakin-1
Molecular docking, molecular dynamics simulation and MM-PB/GBSA analysis for the inhibition of Klebsiella pneumoniae SHV-1 β-lactamase using antimicrobial peptides defensin VvK1 and snakin-1 Open
This computational study aims to explore the inhibition property of two plant-derived AMPs (antimicrobial peptides), defensin VvK1 and snakin-1, against SHV-1 β-lactamase from Klebsiella pneumoniae by molecular docking, MDS (molecular dyna…
View article: Evaluation of inhibitory efficacy of plantaricin JK against NSP1 from SARS-CoV-2 by in silico methods
Evaluation of inhibitory efficacy of plantaricin JK against NSP1 from SARS-CoV-2 by in silico methods Open
SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2), the causative agent of the COVID-19 pandemic, is still a cause of global concern, and therefore, safe and effective treatment is desperately needed. Bacteriocins produced by pro…
View article: MM/GB(PB)SA integrated with molecular docking and ADMET approach to inhibit the fat-mass-and-obesity-associated protein using bioactive compounds derived from food plants used in traditional Chinese medicine
MM/GB(PB)SA integrated with molecular docking and ADMET approach to inhibit the fat-mass-and-obesity-associated protein using bioactive compounds derived from food plants used in traditional Chinese medicine Open
Introduction: Obesity is currently a major global concern, requiring the development of effective therapeutics. This study determines the inhibitory activity against FTO (fat mass and obesity-associated protein) of food plant-derived bioac…
View article: Discovery of multitarget-directed small molecule inhibitors from Andrographis paniculata for Nipah virus disease therapy: Molecular docking, molecular dynamics simulation and ADME-Tox profiling
Discovery of multitarget-directed small molecule inhibitors from Andrographis paniculata for Nipah virus disease therapy: Molecular docking, molecular dynamics simulation and ADME-Tox profiling Open
Nipah virus (NiV), an emerging highly infectious agent, causes fatal infection to humans through zoonosis, particularly in Asian countries including India. No specific treatment or vaccine is available to cure or combat the NiV infection. …
View article: MM-GBSA and QM/MM simulation-based in silico approaches for the inhibition of Acinetobacter baumannii class D OXA-24 β-lactamase using antimicrobial peptides melittin and RP-1
MM-GBSA and QM/MM simulation-based in silico approaches for the inhibition of Acinetobacter baumannii class D OXA-24 β-lactamase using antimicrobial peptides melittin and RP-1 Open
The antimicrobial peptides (AMPs) have been regarded as the next generation antibiotics. This study aimed to explore the AMP inhibitors of β-lactamase enzyme employing computational biology methods. Protein-peptide docking of Acinetobacter…
View article: Detection of transmission change points during unlock-3 and unlock-4 measures controlling COVID-19 in India
Detection of transmission change points during unlock-3 and unlock-4 measures controlling COVID-19 in India Open
Objective: To evaluate the efficiency of unlock-3 and unlock-4 measure related to COVID-19 transmission change points in India, for projecting the infected population, to help in prospective planning of suitable measures related to future …
View article: Bioinformatic Approaches for Identification of Potential Repurposable Drugs in COVID-19
Bioinformatic Approaches for Identification of Potential Repurposable Drugs in COVID-19 Open
Introduction: Repurposing existing drugs approved for other conditions is crucial to identifying specific therapeutics against SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) causing COVID-19 (coronavirus disease 2019) pandemi…
View article: Insights into the molecular mechanism of anticancer drug ruxolitinib repurposable in COVID-19 therapy
Insights into the molecular mechanism of anticancer drug ruxolitinib repurposable in COVID-19 therapy Open
Due to non-availability of specific therapeutics against COVID-19, repurposing of approved drugs is a reasonable option. Cytokines imbalance in COVID-19 resembles cancer; exploration of anti-inflammatory agents, might reduce COVID-19 morta…
View article: Differential gene expression in scrub typhus compared to other acute febrile infections by bioinformatic approaches
Differential gene expression in scrub typhus compared to other acute febrile infections by bioinformatic approaches Open
Scrub typhus (ST), caused with the infection of Orientia tsutsugamushi , without eschar, is a febrile illness that mimics malaria (ML), dengue (DG), and other rickettsioses such as murine typhus (MT). Comparative analysis of microarray gen…
View article: Estimating COVID-19 Early Pandemic Severity in Indian Context
Estimating COVID-19 Early Pandemic Severity in Indian Context Open
Objective: To explore the early pandemic severity of COVID-19 in India in terms of various case fatality rate (CFR) estimates. Methods: Various COVID-19 fatalities: confirmed CFR (cCFR), asymptomatic CFR (aCFR), symptomatic CFR (sCFR), and…
View article: Detection of transmission change points during unlock-3 and unlock-4 measures controlling COVID-19 in India
Detection of transmission change points during unlock-3 and unlock-4 measures controlling COVID-19 in India Open
Documentation in scientific literature is not available on prospective evaluation of the efficiency of the unlock measure related to COVID-19 transmission change points in India, projecting the infected population, planning suitable measur…
View article: FUNGAL DETERIORATION OF SOME EDIBLE FRUITS AND THEIR BIOCHEMICAL CHANGES OF AMYLASE PRODUCTION.
FUNGAL DETERIORATION OF SOME EDIBLE FRUITS AND THEIR BIOCHEMICAL CHANGES OF AMYLASE PRODUCTION. Open
Production of microbial enzymes at the industrial scale and their commercialization has gained a lot of focus and importance. Some of the industrially important enzymes from microbial origin include Lipase, Amylase, Proteases, Xylanases, P…
View article: Computational Approaches towards Micro-RNA Expression Analysis for Identification of Biomarkers in Inflammatory Bowel Disease Subtypes
Computational Approaches towards Micro-RNA Expression Analysis for Identification of Biomarkers in Inflammatory Bowel Disease Subtypes Open
Background and Aim: The potential biomarkers of inflammatory bowel diseases (IBDs) were analyzed from GSE53867 dataset. The current study aimed to identify miRNAs as potential diagnostic and prognostic biomarkers to delineate the IBD subty…
View article: Early Phasic Containment of COVID-19 in Substantially Affected States of India
Early Phasic Containment of COVID-19 in Substantially Affected States of India Open
Introduction: India is experiencing the global COVID-19 pandemic caused with the infection of SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2). To explore the early epidemic course and the effectiveness of lockdowns on COVID-19…
View article: Insights Into The Broad Antibacterial Spectrum Of Bacteriocin Isolated From Probiotic Lactobacillus Fermentum LMEM22 Strain
Insights Into The Broad Antibacterial Spectrum Of Bacteriocin Isolated From Probiotic Lactobacillus Fermentum LMEM22 Strain Open
This communication aims to validate the probiotic attributes of the Lactobacillus fermentum LMEM22 strain, safety profiling, 16S rRNA gene sequence analysis, and bacteriocin characterization. The bacteriocin of 13.1 kDa (based on the glyci…
View article: Bioinformatic approaches towards identification of potential repurposable drugs for COVID-19
Bioinformatic approaches towards identification of potential repurposable drugs for COVID-19 Open
Repurposing existing drugs approved for other conditions is crucial to identifying specific therapeutics against SARS-CoV-2 causing COVID-19 (coronavirus disease-2019) pandemic. Towards this attempt, it is important to understand how this …
View article: Bioinformatic approaches towards identification of potential repurposable drugs for COVID-19
Bioinformatic approaches towards identification of potential repurposable drugs for COVID-19 Open
Repurposing existing drugs approved for other conditions is crucial to identifying specific therapeutics against SARS-CoV-2 causing COVID-19 (coronavirus disease-2019) pandemic. Towards this attempt, it is important to understand how this …
View article: Estimating global case fatality rate of coronavirus disease 2019 (COVID-19) pandemic
Estimating global case fatality rate of coronavirus disease 2019 (COVID-19) pandemic Open
There is a huge loss of lives worldwide in relation to COVID-19 pandemic, the primary epicentre of which is China, where the causative agent of the disease called SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) was first emerg…
View article: Estimating COVID-19 pandemic severity in Indian context
Estimating COVID-19 pandemic severity in Indian context Open
The case fatality rate (CFR) represents one of the most vital factors in demonstrating the severity of novel infectious disease, COVID-19. Various estimates of COVID-19 fatalities (based on the publicly and published information and data i…
View article: MicroRNA expression analysis for identification of biomarkers in inflammatory bowel disease subtypes
MicroRNA expression analysis for identification of biomarkers in inflammatory bowel disease subtypes Open
The potential biomarkers in inflammatory bowel diseases (IBDs) were analyzed from GSE53867 dataset. Differentially expressed microRNAs (DEMs)-genes and protein-protein interaction networks were constructed, and hub genes selected using Cyt…
View article: Phasic containment of COVID-19 in substantially affected states of India
Phasic containment of COVID-19 in substantially affected states of India Open
The spread of COVID-19 epidemic in some highly-impacted Indian states displayed a characteristic sub-exponential growth projected up to 3 May 2020, as a consequence of lockdown strategies, in addition to improvement of reproduction number …
View article: MicroRNA expression analysis for identification of biomarkers in inflammatory bowel disease subtypes
MicroRNA expression analysis for identification of biomarkers in inflammatory bowel disease subtypes Open
The potential biomarkers in inflammatory bowel diseases (IBDs) were analyzed from GSE53867 dataset. Differentially expressed microRNAs (DEMs)-genes and protein-protein interaction networks were constructed, and hub genes selected using Cyt…
View article: COVID-19 pandemic scenario in India compared to China and rest of the world: a data driven and model analysis
COVID-19 pandemic scenario in India compared to China and rest of the world: a data driven and model analysis Open
The COVID-19 is a rapidly spreading respiratory illness caused with the infection of SARS-CoV-2. The COVID-19 data from India was compared with China and rest of the world. The average values of daily growth rate (DGR), case recovery rate …
View article: Principal component analysis exploring the association between antibiotic resistance and heavy metal tolerance of plasmid-bearing sewage wastewater bacteria of clinical relevance
Principal component analysis exploring the association between antibiotic resistance and heavy metal tolerance of plasmid-bearing sewage wastewater bacteria of clinical relevance Open
This paper unravels the occurrence of plasmid-mediated antibiotic resistance in association with tolerance to heavy metals among clinically relevant bacteria isolated from sewage wastewater. The bacteria isolated were identified following …
View article: Heavy metal tolerance in association with plasmid mediated multiple antibiotic resistances among clinical bacterial isolates
Heavy metal tolerance in association with plasmid mediated multiple antibiotic resistances among clinical bacterial isolates Open
The heavy metal tolerance in association with plasmid mediated antibiotic resistance among bacteria has been reported around the globe.This communication conducted an experiment to explore the co-existence of antibiotic resistance and heav…
View article: DETECTION OF MERCURY AND CADMIUM RESISTANCE AMONG MULTIPLE ANTIBIOTIC RESISTANT ENTERIC BACTERIA FROM MUNICIPAL SEWAGE WATER IN MALDA, INDIA
DETECTION OF MERCURY AND CADMIUM RESISTANCE AMONG MULTIPLE ANTIBIOTIC RESISTANT ENTERIC BACTERIA FROM MUNICIPAL SEWAGE WATER IN MALDA, INDIA Open
The plasmid mediated co-resistance to antibiotics and heavy metals among environmental as well as clinical bacteria have been reported from various parts of the globe.In the current study, the sewage water samples (n=9), collected within f…
View article: Diagnosis of Dengue Infection Cases by Serum Lactate Dehydrogenase Profiling Compared to Dengue NS1 Antigen and Anti-dengue IgM Antibody Detection: A Retrospective Study
Diagnosis of Dengue Infection Cases by Serum Lactate Dehydrogenase Profiling Compared to Dengue NS1 Antigen and Anti-dengue IgM Antibody Detection: A Retrospective Study Open
The serum LDH (lactate dehydrogenase) levels have been reported to be increased in DF, and studies showed that LDH levels are higher in DHF and DSS cases [7], while an early elevation of LDH was recorded as an independent predictor of DHF …