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Article ; Online: A New Approach for the Synthesis of N -Arylamides Starting from Benzonitriles

Pradip Debnath

Chemistry Proceedings, Vol 8, Iss 27, p

2021 Volume 27

Abstract: N -Arylamides are a ubiquitous component of a broad range of natural products and biologically active compounds. In this paper, a new synthetic protocol for the preparation of N -arylamides was developed via the hypervalent iodine-mediated aza -Hofmann- ... ...

Abstract	N -Arylamides are a ubiquitous component of a broad range of natural products and biologically active compounds. In this paper, a new synthetic protocol for the preparation of N -arylamides was developed via the hypervalent iodine-mediated aza -Hofmann-type rearrangement of amidines. The reaction proceeded smoothly at 100 °C in the presence of PhINTs in toluene solvent. The requisite amidine substrates were prepared from amines and nitriles by applying the Pinner reaction approach. Considering the easy access of amidines from nitriles, the overall process is the conversion of nitriles to acetanilide and N -arylamides. As an application of the protocol, the preparation of paracetamol from 4-cyanophenol is also described.
Keywords	N -arylamides ; nitriles ; amidines ; paracetamol ; Chemistry ; QD1-999
Language	English
Publishing date	2021-11-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: TBHP-mediated oxidative synthesis of substituted pyrimido[4,5-

Debnath, Pradip

RSC advances

2019 Volume 9, Issue 51, Page(s) 29831–29839

Abstract: An efficient and operationally simple protocol has been demonstrated for the synthesis of 1,3,5,7-tetrasubstituted pyrimido[4,5- ...

Abstract	An efficient and operationally simple protocol has been demonstrated for the synthesis of 1,3,5,7-tetrasubstituted pyrimido[4,5-
Language	English
Publishing date	2019-09-20
Publishing country	England
Document type	Journal Article
ISSN	2046-2069
ISSN (online)	2046-2069
DOI	10.1039/c9ra06625j
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Article ; Online: A Review on Mathematical Modeling of Different Biological Methods of Hydrogen Production

Priyakrishna Yumnam / Pradip Debnath

Hydrogen, Vol 4, Iss 4, Pp 881-

2023 Volume 916

Abstract: In this paper, we present an updated review on the mathematical modeling of different biological methods of hydrogen production. The presented mathematical modeling and methods range from inception to the current state-of-the-art developments in hydrogen ...

Abstract	In this paper, we present an updated review on the mathematical modeling of different biological methods of hydrogen production. The presented mathematical modeling and methods range from inception to the current state-of-the-art developments in hydrogen production using biological methods. A comparative study was performed along with indications for future research and shortcomings of earlier research. This review will be helpful for all researchers working on different methods of hydrogen production. However, we only covered biological methods such as biophotolysis, fermentation and microbial electrolysis cells, and this list is not exhaustive of all other methods of hydrogen production.
Keywords	biological ; biophotolysis ; fermentation ; microbial electrolysis ; mathematical modeling ; hydrogen production ; Science (General) ; Q1-390
Language	English
Publishing date	2023-11-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Therapeutic role of traditionally used Indian medicinal plants and spices in combating COVID-19 pandemic situation.

Nath, Moumita / Debnath, Pradip

Journal of biomolecular structure & dynamics

2022 Volume 41, Issue 12, Page(s) 5894–5913

Abstract: The coronavirus disease (COVID-19) caused by SARS-CoV-2 is a big challenge and burning issue to the scientific community and doctors worldwide. Globally, COVID-19 has created a health disaster and adversely affects the economic growth. Although some ... ...

Abstract	The coronavirus disease (COVID-19) caused by SARS-CoV-2 is a big challenge and burning issue to the scientific community and doctors worldwide. Globally, COVID-19 has created a health disaster and adversely affects the economic growth. Although some vaccines have already emerged, no therapeutic medication has yet been approved by FDA for the treatment of COVID-19 patients. Traditionally, we have been using different medicinal plants like neem, tulsi, tea, and many spices like garlic, ginger, turmeric, black seed, onion, etc. for the treatment of flu-like diseases. In this paper, we are highlighting the recent research progress in the identification of natural products from the Indian medicinal plants and spices that have potential inhibition properties against SARS-CoV-2. This study will provide an initiative to stimulate further research by providing useful guidance to the medicinal chemists for designing new protease inhibitors effective against SARS-CoV-2 in future.Communicated by Ramaswamy H. Sarma.
MeSH term(s)	Humans ; Spices ; Pandemics ; Plants, Medicinal ; COVID-19/epidemiology ; SARS-CoV-2 ; Biological Products ; Protease Inhibitors ; Molecular Docking Simulation
Chemical Substances	holy basil leaf extract (SCJ765569P) ; Biological Products ; Protease Inhibitors
Language	English
Publishing date	2022-06-30
Publishing country	England
Document type	Journal Article ; Review
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2022.2093793
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Article ; Online: Carvacrol

Sudhan Debnath / Bimal Debnath / Pradip Debnath

Chemistry Proceedings, Vol 12, Iss 11, p

A PL pro Inhibitor of SARS-CoV-2 Is a Natural Weapon for COVID-19

2022 Volume 11

Abstract: The outbreak of SARS-CoV-2 created the biggest crisis to human health and has adversely affected economic growth worldwide. Several vaccines emerged from manufacturers to combat COVID-19. Unfortunately, no therapeutic medication has yet been approved by ... ...

Abstract	The outbreak of SARS-CoV-2 created the biggest crisis to human health and has adversely affected economic growth worldwide. Several vaccines emerged from manufacturers to combat COVID-19. Unfortunately, no therapeutic medication has yet been approved by the FDA for the treatment of this disease. Many researchers have performed in silico studies for the identification of potential SARS-CoV-2 inhibitors from the molecules present in Indian medicinal plants and spices. In this paper, we have performed a structure-based virtual screening (VS) of 120 compounds derived from Nigella sativa (NS) against M pro , PL pro , and spike proteins of SARS-CoV-2. Strong binding interactions of M pro occurred with hits NS-40 and NS-84, whereas hits NS-72D and NS-95D showed strong binding interactions with spike proteins. Interestingly, four promising hits (i.e., NS-21, NS-40, carvacrol (NS_08), and menthol) exhibited good binding interactions with both M pro and spike proteins. Carvacrol, a monoterpenoid phenol possessing several biological activities, showed a favourable binding affinity towards the papain-like protease of SARS-CoV-2. This small molecule may be used as a natural weapon to combat COVID-19.
Keywords	carvacrol ; black seed ; SARS-CoV-2 ; COVID-19 ; natural product ; Chemistry ; QD1-999
Subject code	333
Language	English
Publishing date	2022-11-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article: TBHP-mediated oxidative synthesis of substituted pyrimido[4,5-d]pyrimidines from N-uracil amidines and methylarenes under metal free conditions

Debnath, Pradip

RSC advances. 2019 Sept. 20, v. 9, no. 51

2019

Abstract: An efficient and operationally simple protocol has been demonstrated for the synthesis of 1,3,5,7-tetrasubstituted pyrimido[4,5-d]pyrimidines via TBHP-mediated direct oxidative coupling of N-uracil amidines and methylarenes under metal-free conditions. ... ...

Abstract	An efficient and operationally simple protocol has been demonstrated for the synthesis of 1,3,5,7-tetrasubstituted pyrimido[4,5-d]pyrimidines via TBHP-mediated direct oxidative coupling of N-uracil amidines and methylarenes under metal-free conditions. Due to the inherent stability of methylarenes compared to aldehydes, the presented synthetic protocol is adaptable to a broad substrate scope, is operationally simple, has no need for stringent protection in the whole preparation process, and has the potential to prepare valuable products that are currently inaccessible or challenging to prepare using conventional methods. It is a significantly important complement to the conventional synthetic methods. The reaction possesses an efficient tandem oxidation–imination–cyclization process.
Keywords	aldehydes ; amidines ; pyrimidines
Language	English
Dates of publication	2019-0920
Size	p. 29831-29839.
Publishing place	The Royal Society of Chemistry
Document type	Article
ISSN	2046-2069
DOI	10.1039/c9ra06625j
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Potentiality of

Sen, Debanjan / Bhaumik, Samhita / Debnath, Pradip / Debnath, Sudhan

Journal of biomolecular structure & dynamics

2021 Volume 40, Issue 16, Page(s) 7517–7534

Abstract: Coronavirus disease 2019 (COVID-19) has created a global human health crisis and economic setbacks. Lack of specific therapeutics and limited treatment options against COVID-19 has become a new challenge to identify potential hits in order to develop new ...

Abstract	Coronavirus disease 2019 (COVID-19) has created a global human health crisis and economic setbacks. Lack of specific therapeutics and limited treatment options against COVID-19 has become a new challenge to identify potential hits in order to develop new therapeutics. One of the crucial life cycle enzymes of SARS-CoV-2 is main protease (M
MeSH term(s)	COVID-19/drug therapy ; Coronavirus 3C Proteases ; Cysteine Endopeptidases/chemistry ; Drug Design ; Humans ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Moringa oleifera/metabolism ; Protease Inhibitors/chemistry ; SARS-CoV-2 ; Viral Nonstructural Proteins/chemistry
Chemical Substances	Protease Inhibitors ; Viral Nonstructural Proteins ; Cysteine Endopeptidases (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28)
Language	English
Publishing date	2021-03-15
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2021.1898475
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ab Jg. 2022: Lesesaal (EG)

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Article: In Silico Identification of Potential Inhibitors of ADP-Ribose Phosphatase of SARS-CoV-2 nsP3 by Combining E-Pharmacophore- and Receptor-Based Virtual Screening of Database.

Debnath, Pradip / Debnath, Bimal / Bhaumik, Samhita / Debnath, Sudhan

ChemistrySelect

2020 Volume 5, Issue 30, Page(s) 9388–9398

Abstract: The recently emerged 2019 Novel Coronavirus (SARS-CoV-2) and associated COVID-19 disease cause serious or even fatal respiratory tract infection. Observing the spread, illness and death caused by COVID-19, the World Health Organization (WHO) declared ... ...

Abstract	The recently emerged 2019 Novel Coronavirus (SARS-CoV-2) and associated COVID-19 disease cause serious or even fatal respiratory tract infection. Observing the spread, illness and death caused by COVID-19, the World Health Organization (WHO) declared COVID-19 a pandemic. To date, there is no approved therapeutics or effective treatment available to combat the outbreak. This urgent situation is pressing the world to respond with development of novel vaccine or a small molecule therapeutics for SARS-CoV-2. In line with these efforts, the structure of several proteins of SARS-CoV-2 has been rapidly resolved and made publicly available to facilitate global efforts to develop novel drug candidates. In this paper, we aim to find out the small molecule inhibitors for ADP-ribose phosphatase of SARS-CoV-2. In order to identify potential inhibitors, we applied sequential E-pharmacophore and structure-based virtual screening (VS) of MolPort database containing 113687 number of commercially available natural compounds using Glide module. Six potential inhibitors having admirable XP glide score range from -11.009 to -14.684 kcal/mol and good binding affinity towards active sites were identified. All the molecules are commercially available for further characterization and development by scientific community. The
Keywords	covid19
Language	English
Publishing date	2020-08-11
Publishing country	Germany
Document type	Journal Article
ISSN	2365-6549
ISSN	2365-6549
DOI	10.1002/slct.202001419
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Article ; Online: Identification of potential edible mushroom as SARS-CoV-2 main protease inhibitor using rational drug designing approach.

Sen, Debanjan / Debnath, Bimal / Debnath, Pradip / Debnath, Sudhan / Zaki, Magdi E A / Masand, Vijay H

Scientific reports

2022 Volume 12, Issue 1, Page(s) 1503

Abstract: Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) is highly pathogenic to humans and has created health care threats worldwide. This urgent situation has focused the researchers worldwide towards the development of novel vaccine or small ... ...

Abstract	Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) is highly pathogenic to humans and has created health care threats worldwide. This urgent situation has focused the researchers worldwide towards the development of novel vaccine or small molecule therapeutics for SARS-CoV-2. Although several vaccines have already been discovered and are in use for the masses, no therapeutic medication has yet been approved by FDA for the treatment of COVID-19. Keeping this in view, in the present study, we have identified promising hits against the main protease (M
MeSH term(s)	Antiviral Agents/pharmacology ; Antiviral Agents/therapeutic use ; Basidiomycota/chemistry ; Benzofurans/pharmacology ; Benzofurans/therapeutic use ; COVID-19/drug therapy ; Coronavirus 3C Proteases/antagonists & inhibitors ; Molecular Dynamics Simulation ; Protease Inhibitors/pharmacology ; Protease Inhibitors/therapeutic use ; SARS-CoV-2/drug effects ; SARS-CoV-2/enzymology ; Terphenyl Compounds/pharmacology ; Terphenyl Compounds/therapeutic use
Chemical Substances	Antiviral Agents ; Benzofurans ; Protease Inhibitors ; Terphenyl Compounds ; kynapcin 12 ; kynapcin-24 ; kynapcin-28 ; 3C-like proteinase, SARS-CoV-2 (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28)
Language	English
Publishing date	2022-01-27
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2615211-3
ISSN	2045-2322 ; 2045-2322
ISSN (online)	2045-2322
ISSN	2045-2322
DOI	10.1038/s41598-022-05349-x
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Article: Exploring antioxidative, cytotoxic and neuropharmacological insights into

Sarkar, Kishore Kumar / Mitra, Trina / Aktaruzzaman, Md / Abid, Md Ahsan / Rahman, Md Asibur / Debnath, Pradip / Sadhu, Samir Kumar

Heliyon

2024 Volume 10, Issue 5, Page(s) e27001

Abstract: Background study: The aim of this research was to examine possible antioxidant, cytotoxic and neurological activity of methanol and n-hexane extracts of : Methods: In-vitro: Results: MBOL displayed substantial antioxidative activities in various ... ...

Abstract	Background study: The aim of this research was to examine possible antioxidant, cytotoxic and neurological activity of methanol and n-hexane extracts of Methods: In-vitro Results: MBOL displayed substantial antioxidative activities in various established assays compared to NBOL. In brine shrimp lethality bioassay, both MBOL and NBOL revealed cytotoxic activity in a concentration-dependent approach. Again, in Elevated Plus Maze test, 200 and 400 mg/kg of NBOL and MBOL demonstrated significant anxiolytic activities evident from time spent in open arms. In addition, maximum number of head dipping was demonstrated by MBOL at 400 mg/kg (53.90 ± 1.16) in Hole Board test. NBOL and MBOL at both doses significantly diminished the magnitude of movements from the 2nd to 5th observation periods in Open Field test. Furthermore, in Hole Cross test, MBOL remarkably dwindled the locomotor activity at 120 min and 180 min (3.60 ± 0.40 and 2.40 ± 0.51) at 400 mg/kg. Finally, Conclusion: Therefore, the present study's findings advocate the traditional usage of this plant and recommend both MBOL and NBOL as as a potential source of therapeutic candidate for the management of neurological disorders.
Language	English
Publishing date	2024-02-28
Publishing country	England
Document type	Journal Article
ZDB-ID	2835763-2
ISSN	2405-8440
ISSN	2405-8440
DOI	10.1016/j.heliyon.2024.e27001
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