12 Works

Computational study of novel inhibitory molecule, 1-(4-((2S,3S)-3-amino-2-hydroxy-4-phenylbutyl)piperazin-1-yl)-3-phenylurea, with high potential to competitively block ATP binding to the RNA dependent RNA polymerase of SARS-CoV-2 virus

Prem Prakash Sharma, Sumit Kumar, Sukrit Srivastava, Mitul Srivastava, Babban Jee, Nikolay Yu. Gorobets, Dhruv Kumar, Mukesh Kumar, Shailendra Asthana, Peng Zhang, Poonam, Martin Zoltner & Brijesh Rathi
For coronaviruses, RNA-dependent RNA polymerase (RdRp) is an essential enzyme that catalyses the replication from RNA template and therefore remains an attractive therapeutic target for anti-COVID drug discovery. In the present study, we performed a comprehensive in silico screening for 16,776 potential molecules from recently established drug libraries based on two important pharmacophores (3-amino-4-phenylbutan-2-ol and piperazine). Based on initial assessment, 4042 molecules were obtained suitable as drug candidates, which were following Lipinski’s rule. Molecular docking...

Ayurveda-based phytochemical composition attenuates lung inflammation and precipitates pharmacokinetic interaction with favipiravir: an in vivo investigation using disease-state of acute lung injury

Abhishek Gour, Ashish Dogra, Mahendra K. Verma, Mahir Bhardwaj, Dilpreet Kour, Ashiya Jamwal, Bapi Gorain, Mukesh Kumar, Bhavna Vij, Ajay Kumar & Utpal Nandi
Acute respiratory distress syndrome (ARDS) is a critical form of acute lung injury (ALI). Here, we investigated the effect of a defined combination of ten pure phytochemicals in equal proportions of weight (NPM) from plants, recommended by Ayurveda for any protective action against lipopolysaccharide (LPS)-induced ALI. Results indicate that NPM markedly improved protein and neutrophil contents, myeloperoxidase and hydroxyproline levels, oxidative stress markers (glutathione and malonaldehyde), inflammatory cytokines, and genes (IL-6, TNF-α, TGF-β, and NF-κB/IκBα)...

mRNA and miRNA profiling of Zika virus-infected human umbilical cord mesenchymal stem cells identifies miR-142-5p as an antiviral factor

Rak-Kyun Seong, Jae Kyung Lee, Geum Joon Cho, Mukesh Kumar & Ok Sarah Shin
Zika virus (ZIKV) infection during pregnancy is associated with congenital brain abnormalities, a finding that highlights the urgent need to understand mother-to-fetus transmission mechanisms. Human umbilical cord mesenchymal stem cells (hUCMSCs) are susceptible to ZIKV infection but the underlying mechanisms of viral susceptibility remain largely unexplored. In this study, we have characterized and compared host mRNA and miRNA expression profiles in hUCMSCs after infection with two lineages of ZIKV, African (MR766) and Asian (PRVABC59). RNA...

Axial compression behavior of thin-walled mild steel tubes subjected to axial impact

S.K. Tak & M.A. Iqbal
The finite element computations were performed on ABAQUS/Explicit solver to study the effect of wall thickness on axial crushing and energy absorption of the mild steel tubes under axial impact. Circular tube (60 mm diameter) and square tube (47.34 mm size) with varying wall thicknesses (1.1, 1.5, 2, 2.5, and 3 mm) were impacted axially by 5 kg projectile. A comparative study has also been carried out on axial compression behavior of tubes with circular...

Computational study of novel inhibitory molecule, 1-(4-((2S,3S)-3-amino-2-hydroxy-4-phenylbutyl)piperazin-1-yl)-3-phenylurea, with high potential to competitively block ATP binding to the RNA dependent RNA polymerase of SARS-CoV-2 virus

Prem Prakash Sharma, Sumit Kumar, Sukrit Srivastava, Mitul Srivastava, Babban Jee, Nikolay Yu. Gorobets, Dhruv Kumar, Mukesh Kumar, Shailendra Asthana, Peng Zhang, Poonam, Martin Zoltner & Brijesh Rathi
For coronaviruses, RNA-dependent RNA polymerase (RdRp) is an essential enzyme that catalyses the replication from RNA template and therefore remains an attractive therapeutic target for anti-COVID drug discovery. In the present study, we performed a comprehensive in silico screening for 16,776 potential molecules from recently established drug libraries based on two important pharmacophores (3-amino-4-phenylbutan-2-ol and piperazine). Based on initial assessment, 4042 molecules were obtained suitable as drug candidates, which were following Lipinski’s rule. Molecular docking...

N-acetylglucosamine-phosphatidylinositol de-N-acetylase as a novel target for probing potential inhibitor against Leishmania donovani

Mukesh Kumar, Manish Kumar Tripathi, Deepali Gupta, Sanjit Kumar, Nihar Ranjan Biswas, A. S. Ethayathulla & Punit Kaur
Leishmania donavani is the causative agent of leishmaniasis, responsible for social and economic disruption, especially in developing countries. Lack of effective drugs with few side effects have necessitated the discovery of newer therapeutic solutions for leishmaniasis. Glycophosphatidylinositol (GPI) synthesis plays a vital role in protozoan cell membranes structural formation and antigenic modification. Hence, any disruption in its biosynthesis can prove fatal to the parasitic protozoans. N-acetylglucosamine-phosphatidylinositol de-N-acetylase (NAGP-deacetylase) is an enzyme from the GPI biosynthetic...

Ayurveda-based phytochemical composition attenuates lung inflammation and precipitates pharmacokinetic interaction with favipiravir: an in vivo investigation using disease-state of acute lung injury

Abhishek Gour, Ashish Dogra, Mahendra K. Verma, Mahir Bhardwaj, Dilpreet Kour, Ashiya Jamwal, Bapi Gorain, Mukesh Kumar, Bhavna Vij, Ajay Kumar & Utpal Nandi
Acute respiratory distress syndrome (ARDS) is a critical form of acute lung injury (ALI). Here, we investigated the effect of a defined combination of ten pure phytochemicals in equal proportions of weight (NPM) from plants, recommended by Ayurveda for any protective action against lipopolysaccharide (LPS)-induced ALI. Results indicate that NPM markedly improved protein and neutrophil contents, myeloperoxidase and hydroxyproline levels, oxidative stress markers (glutathione and malonaldehyde), inflammatory cytokines, and genes (IL-6, TNF-α, TGF-β, and NF-κB/IκBα)...

A numerical study of ballistic behaviour of ceramic metallic bi-layer armor under impact load

M.K. Khan, M.A. Iqbal, V. Bratov, N.K. Gupta & N.F. Morozov
A 3D finite element model has been developed for studying the ballistic behaviour of bi-layer ceramic-metal target plates under the impact loads induced by the projectiles of different diameter to length ratios. The bi-layer target constituted of alumina 95, as front layer, backed by aluminium alloy 2024-T3 layer, has been impacted by steel 4340 blunt and ogival nosed projectiles of diameter to length ratios, 0.5 and 1.1. The constitutive behaviour of ceramic was modelled using...

mRNA and miRNA profiling of Zika virus-infected human umbilical cord mesenchymal stem cells identifies miR-142-5p as an antiviral factor

Rak-Kyun Seong, Jae Kyung Lee, Geum Joon Cho, Mukesh Kumar & Ok Sarah Shin
Zika virus (ZIKV) infection during pregnancy is associated with congenital brain abnormalities, a finding that highlights the urgent need to understand mother-to-fetus transmission mechanisms. Human umbilical cord mesenchymal stem cells (hUCMSCs) are susceptible to ZIKV infection but the underlying mechanisms of viral susceptibility remain largely unexplored. In this study, we have characterized and compared host mRNA and miRNA expression profiles in hUCMSCs after infection with two lineages of ZIKV, African (MR766) and Asian (PRVABC59). RNA...

BALLISTIC RESISTANCE OF CERAMIC METALLIC TARGET FOR VARYING LAYER THICKNESSES

M.K. Khan, M.A. Iqbal, V.A. Bratov, N.F. Morozov & N.K. Gupta
The ballistic behaviour of a bi-layer ceramic-metal target against steel projectile with varying layer thicknesses has been investigated using a three-dimensional finite element model. The bi-layer target was made of alumina 99.5 % ceramic front layer and aluminium 2024-T3 metallic back layer with an areal dimension of 100×100 mm and the thickness of both layers were varied, with the total thickness of the composite being kept as 10 mm and 20 mm. A steel 4340...

Ballistic response and induced damage of plain and reinforced concrete plates

Kamran Kamran & M.A. Iqbal
The present study shows the comparison of ballistic response and induced damages of plain and reinforced concrete plates subjected to the normal impact of ogive-nosed steel projectiles. The evaluation of damage has been described by the presence of cracking and measuring the size of the crater in terms of equivalent diameter, formed at front and rear concrete surfaces. The ballistic limits of plain and reinforced concrete have been obtained through the varied projectile velocities. The...

N-acetylglucosamine-phosphatidylinositol de-N-acetylase as a novel target for probing potential inhibitor against Leishmania donovani

Mukesh Kumar, Manish Kumar Tripathi, Deepali Gupta, Sanjit Kumar, Nihar Ranjan Biswas, A. S. Ethayathulla & Punit Kaur
Leishmania donavani is the causative agent of leishmaniasis, responsible for social and economic disruption, especially in developing countries. Lack of effective drugs with few side effects have necessitated the discovery of newer therapeutic solutions for leishmaniasis. Glycophosphatidylinositol (GPI) synthesis plays a vital role in protozoan cell membranes structural formation and antigenic modification. Hence, any disruption in its biosynthesis can prove fatal to the parasitic protozoans. N-acetylglucosamine-phosphatidylinositol de-N-acetylase (NAGP-deacetylase) is an enzyme from the GPI biosynthetic...

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