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Article ; Online: Cardiac Outcomes in a Cohort of Children with MIS-C.

Singhal, Tanu / Karande, Tanuja / Bobhate, Prashant / Joshi, Preetha

2023 Volume 90, Issue 11, Page(s) 1154

MeSH term(s)	Child ; Humans ; Systemic Inflammatory Response Syndrome ; COVID-19
Language	English
Publishing date	2023-07-13
Publishing country	India
Document type	Letter
ZDB-ID	218231-2
ISSN	0973-7693 ; 0019-5456
ISSN (online)	0973-7693
ISSN	0019-5456
DOI	10.1007/s12098-023-04761-z
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Article ; Online: Evaluation of the inhibitory potential of Valproic acid against histone deacetylase of

Prasanna, Pragya / Joshi, Tanuja / Pant, Manish / Pundir, Hemlata / Chandra, Subhash

Journal of biomolecular structure & dynamics

2022 Volume 41, Issue 12, Page(s) 5447–5464

Abstract: Valproic acid (VA) is a proven inhibitor of human histone deacetylases (HDACs). The homogenous HDAC has been associated with all major human parasitic pathogens and hence, it has been considered an attractive drug target for anti-leishmanial therapy. To ... ...

Abstract	Valproic acid (VA) is a proven inhibitor of human histone deacetylases (HDACs). The homogenous HDAC has been associated with all major human parasitic pathogens and hence, it has been considered an attractive drug target for anti-leishmanial therapy. To assist in drug design endeavors for HDACs, an in-
MeSH term(s)	Humans ; Leishmania donovani ; Valproic Acid/pharmacology ; Histone Deacetylases ; Ligands ; Antiprotozoal Agents/pharmacology ; Antiprotozoal Agents/chemistry
Chemical Substances	Valproic Acid (614OI1Z5WI) ; Histone Deacetylases (EC 3.5.1.98) ; Ligands ; Antiprotozoal Agents
Language	English
Publishing date	2022-06-15
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2022.2087103
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Article ; Online: Deep-learning based repurposing of FDA-approved drugs against

Joshi, Tanuja / Pundir, Hemlata / Chandra, Subhash

Journal of biomolecular structure & dynamics

2021 Volume 40, Issue 18, Page(s) 8420–8436

Abstract: ... Candida ... ...

Abstract	Candida albicans
MeSH term(s)	Aminopyridines ; Antifungal Agents/chemistry ; Antifungal Agents/pharmacology ; Benzodioxoles ; Candida albicans ; Candidiasis/drug therapy ; Cyclopropanes ; Deep Learning ; Drug Approval ; Drug Repositioning ; Folic Acid Antagonists/pharmacology ; Folic Acid Antagonists/therapeutic use ; Humans ; Lactams, Macrocyclic ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Proline/analogs & derivatives ; Rifampin/pharmacology ; Rifampin/therapeutic use ; Sulfonamides ; Tetrahydrofolate Dehydrogenase/metabolism ; United States ; United States Food and Drug Administration
Chemical Substances	Aminopyridines ; Antifungal Agents ; Benzodioxoles ; Cyclopropanes ; Folic Acid Antagonists ; Lactams, Macrocyclic ; Sulfonamides ; Proline (9DLQ4CIU6V) ; Tetrahydrofolate Dehydrogenase (EC 1.5.1.3) ; lumacaftor (EGP8L81APK) ; paritaprevir (OU2YM37K86) ; Rifampin (VJT6J7R4TR)
Language	English
Publishing date	2021-04-21
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2021.1911851
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Article ; Online: Identification of Berbamine, Oxyacanthine and Rutin from Berberis asiatica as anti-SARS-CoV-2 compounds: An in silico study.

Joshi, Tanuja / Bhat, Sunaullah / Pundir, Hemlata / Chandra, Subhash

Journal of molecular graphics & modelling

2021 Volume 109, Page(s) 108028

Abstract: Owing to the shortage of specific medicines, the global pandemic of COVID-19 caused by SARS-CoV-2 has been the greatest challenge for the science community. Researchers from all over the world developed some drugs which failed to completely suppress the ... ...

Abstract	Owing to the shortage of specific medicines, the global pandemic of COVID-19 caused by SARS-CoV-2 has been the greatest challenge for the science community. Researchers from all over the world developed some drugs which failed to completely suppress the contiguous disease. SARS-CoV-2 main protease (Mpro), an important component in viral pathogenesis, is considered as a prospective drug target to stop SARS-CoV-2 infection. Since identification of phytochemicals with anti-Mpro activity has been carried out to develop the potential drugs against SARS-CoV-2. Therefore, the present study was conducted to screen phytochemicals of Berberis asiatica for anti-SARS-CoV-2 activity. Through text mining, thirty phytochemicals were reported from B. asiatica, of which, three phytochemicals (Berbamine, Oxyacanthine, and Rutin) show high affinity with the SARS-CoV-2 Mpro and exhibited favorable intermolecular interactions with the catalytic residues (His41 and Cys145) and other essential residues. The molecular dynamics simulation showed that Mpro-phytochemical complexes are more stable, less fluctuating, more compact, and moderately extended than the Mpro-X77 (Reference) complex. The number of H-bonds and MMPBSA results also demonstrates that Berbamine, Oxyacanthine, and Rutin are potent Mpro inhibitors having free energy of -20.79, -33.35, and -31.12 kcal mol
MeSH term(s)	Benzylisoquinolines ; Berberis ; COVID-19 ; Humans ; Isoquinolines ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Protease Inhibitors ; Rutin ; SARS-CoV-2
Chemical Substances	Benzylisoquinolines ; Isoquinolines ; Protease Inhibitors ; oxyacanthine (5BD0KNF4AT) ; Rutin (5G06TVY3R7) ; berbamine (V5KM4XJ0WM)
Language	English
Publishing date	2021-10-11
Publishing country	United States
Document type	Journal Article
ZDB-ID	1396450-1
ISSN	1873-4243 ; 1093-3263
ISSN (online)	1873-4243
ISSN	1093-3263
DOI	10.1016/j.jmgm.2021.108028
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Article ; Online: Transfusion Transmitted Infections among Blood Donors at a Tertiary Care Hospital Blood Bank in Kumaon Region, Uttarakhand, India

Saloni Upadhyay / Kriti Joshi / Tanuja Pangtey

National Journal of Laboratory Medicine, Vol 10, Iss 04, Pp 61-

2021 Volume 64

Abstract: Introduction: Blood transfusion is one of the most important and integral intervention of the modern medicine but, simultaneously it carries the solemn risk of transmitting various life-threatening Transfusion-Transmissible Infectious (TTI) agents. Aim: ... ...

Abstract	Introduction: Blood transfusion is one of the most important and integral intervention of the modern medicine but, simultaneously it carries the solemn risk of transmitting various life-threatening Transfusion-Transmissible Infectious (TTI) agents. Aim: To study the serological profile of voluntary blood donors in a blood bank of tertiary healthcare centre in Kumaon region, Uttarakhand, India. Materials and Methods: A hospital based prospective study was conducted from September 2018-September 2020. All the potential blood donors coming to the Department of Pathology and Blood Bank were included and after obtaining informed consent from the donor, venous blood was collected. Samples were tested for Human Immunodeficiency Virus (HIV), Hepatitis B Virus (HBV), Hepatitis C Virus (HCV), syphilis, and malarial parasite. The data was collected and tabulated in Microsoft Excel sheet and was analysed by calculating frequency and percentages. Results: A total of 8874 donors were screened during the study period; of these 5.66% (503/8874) were found to be seropositive. Seroprevalence of HBV, HCV, HIV, syphilis and malaria was 1.87% (166/8874), 3.23% (287/8874), 0.15% (14/8874), 0.40% (35/8874) and 0.01% (01/8874) respectively. Highest prevalence of TTI (55.06%; 277/503) was within the age group of 18-28 years. Maximum seroreactivity was seen in blood group- B positive (32.60%; 164/503) followed by A positive (25.84%; 130/503). Conclusion: Although, there has been a down-swing in the prevalence of TTI’s but, there is still need for improvement in the quality of transfusion medicine services and implementation of strict donor criteria to further minimise the risk of TTI’s.
Keywords	hepatitis b virus ; hepatitis c virus ; human immunodeficiency virus ; malaria ; seropositive ; syphilis ; transmissible infections ; Microbiology ; QR1-502 ; Chemistry ; QD1-999
Subject code	610
Language	English
Publishing date	2021-10-01T00:00:00Z
Publisher	JCDR Research and Publications Pvt. Ltd.
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Molecular dynamics simulation for screening phytochemicals as α-amylase inhibitors from medicinal plants.

Sharma, Priyanka / Joshi, Tushar / Joshi, Tanuja / Chandra, Subhash / Tamta, Sushma

Journal of biomolecular structure & dynamics

2020 Volume 39, Issue 17, Page(s) 6524–6538

Abstract: ... Diabetes ... ...

Abstract	Diabetes mellitus
MeSH term(s)	Enzyme Inhibitors/pharmacology ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Phytochemicals/pharmacology ; Plants, Medicinal/chemistry ; alpha-Amylases/antagonists & inhibitors
Chemical Substances	Enzyme Inhibitors ; Phytochemicals ; alpha-Amylases (EC 3.2.1.1)
Language	English
Publishing date	2020-08-04
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2020.1801507
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Article ; Online: In silico

Joshi, Tanuja / Joshi, Tushar / Sharma, Priyanka / Pundir, Hemlata / Chandra, Subhash

Journal of biomolecular structure & dynamics

2020 Volume 39, Issue 13, Page(s) 4816–4834

Abstract: Isocitrate Lyase (ICL) is a crucial enzyme involved in the Glyoxylate pathway, essential for the virulence of several fungal pathogens ... ...

Abstract	Isocitrate Lyase (ICL) is a crucial enzyme involved in the Glyoxylate pathway, essential for the virulence of several fungal pathogens including
MeSH term(s)	Fungicides, Industrial/pharmacology ; Fusarium/metabolism ; Isocitrate Lyase/metabolism ; Melia azedarach/metabolism ; Molecular Docking Simulation ; Molecular Dynamics Simulation
Chemical Substances	Fungicides, Industrial ; Isocitrate Lyase (EC 4.1.3.1)
Language	English
Publishing date	2020-06-22
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2020.1780941
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Article ; Online: Molecular docking and molecular dynamics simulation approach to screen natural compounds for inhibition of

Joshi, Tushar / Joshi, Tanuja / Sharma, Priyanka / Chandra, Subhash / Pande, Veena

Journal of biomolecular structure & dynamics

2020 Volume 39, Issue 3, Page(s) 823–840

Abstract: Xanthomonas oryzae pv. Oryzae (Xoo) ...

Abstract	Xanthomonas oryzae pv. Oryzae (Xoo)
MeSH term(s)	Amidohydrolases/antagonists & inhibitors ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Oryza ; Plant Diseases/microbiology ; Xanthomonas/drug effects
Chemical Substances	Amidohydrolases (EC 3.5.-) ; peptide deformylase (EC 3.5.1.88)
Language	English
Publishing date	2020-01-30
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2020.1719200
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Article ; Online: QSAR modeling and pharmacoinformatics of SARS coronavirus 3C-like protease inhibitors.

Ishola, Ahmed Adebayo / Adedirin, Oluwaseye / Joshi, Tanuja / Chandra, Subhash

Computers in biology and medicine

2021 Volume 134, Page(s) 104483

Abstract: The search for effective treatment against novel coronavirus (COVID-19) remains a global challenge due to controversies on available vaccines. In this study, data of SARS coronavirus 3C-like protease (3CLpro) inhibitors; a key drug target in the ... ...

Abstract	The search for effective treatment against novel coronavirus (COVID-19) remains a global challenge due to controversies on available vaccines. In this study, data of SARS coronavirus 3C-like protease (3CLpro) inhibitors; a key drug target in the coronavirus genome was retrieved from CHEMBL database. Quantitative Structure-Activity Relationship (QSAR) studies, Molecular docking, Absorption-Distribution-Metabolism-Excretion-Toxicity (ADMET) and molecular dynamics simulation (MDS) were carried out using these 3CLpro inhibitors. QSAR model constructed using the data had correlation coefficient R
Language	English
Publishing date	2021-05-11
Publishing country	United States
Document type	Journal Article
ZDB-ID	127557-4
ISSN	1879-0534 ; 0010-4825
ISSN (online)	1879-0534
ISSN	0010-4825
DOI	10.1016/j.compbiomed.2021.104483
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Book ; Online: TASAC

Joshi, Tanuja / Kodamana, Hariprasad / Kandath, Harikumar / Kaisare, Niket

a twin-actor reinforcement learning framework with stochastic policy for batch process control

2022

Abstract: Due to their complex nonlinear dynamics and batch-to-batch variability, batch processes pose a challenge for process control. Due to the absence of accurate models and resulting plant-model mismatch, these problems become harder to address for advanced ... ...

Abstract	Due to their complex nonlinear dynamics and batch-to-batch variability, batch processes pose a challenge for process control. Due to the absence of accurate models and resulting plant-model mismatch, these problems become harder to address for advanced model-based control strategies. Reinforcement Learning (RL), wherein an agent learns the policy by directly interacting with the environment, offers a potential alternative in this context. RL frameworks with actor-critic architecture have recently become popular for controlling systems where state and action spaces are continuous. It has been shown that an ensemble of actor and critic networks further helps the agent learn better policies due to the enhanced exploration due to simultaneous policy learning. To this end, the current study proposes a stochastic actor-critic RL algorithm, termed Twin Actor Soft Actor-Critic (TASAC), by incorporating an ensemble of actors for learning, in a maximum entropy framework, for batch process control. Comment: 11 pages
Keywords	Computer Science - Machine Learning ; Electrical Engineering and Systems Science - Systems and Control ; 14J60 (Primary) 14F05 ; 14J26 (Secondary)
Subject code	629
Publishing date	2022-04-22
Publishing country	us
Document type	Book ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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