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Article ; Online: Design, Synthesis and Biological Evaluation of 5-amino-3-aryl-1-(6'-chloropyridazin-3'-yl)pyrazoles and their Derivatives as Analgesic Agents.

Aggarwal, Ranjana / Kaushik, Pawan / Kumar, Ajay / Saini, Deepika

2020 Volume 70, Issue 11, Page(s) 493–502

Abstract: An efficient and environmental benign solvent-free synthesis of 5-amino-3-aryl-1-( ... ...

Abstract	An efficient and environmental benign solvent-free synthesis of 5-amino-3-aryl-1-(6
MeSH term(s)	Acetic Acid/administration & dosage ; Acetic Acid/toxicity ; Animals ; Cyclooxygenase 2/metabolism ; Cyclooxygenase 2/ultrastructure ; Cyclooxygenase 2 Inhibitors/chemical synthesis ; Cyclooxygenase 2 Inhibitors/pharmacology ; Cyclooxygenase 2 Inhibitors/therapeutic use ; Disease Models, Animal ; Drug Design ; Drug Evaluation, Preclinical ; Humans ; Mice ; Molecular Docking Simulation ; Pain/chemically induced ; Pain/drug therapy ; Pyrazoles/chemistry ; Pyrazoles/pharmacology ; Pyrazoles/therapeutic use ; Pyridazines/chemistry ; Pyridazines/pharmacology ; Pyridazines/therapeutic use ; Structure-Activity Relationship
Chemical Substances	Cyclooxygenase 2 Inhibitors ; Pyrazoles ; Pyridazines ; Cyclooxygenase 2 (EC 1.14.99.1) ; Acetic Acid (Q40Q9N063P)
Language	English
Publishing date	2020-07-24
Publishing country	Germany
Document type	Journal Article
ZDB-ID	2703847-6
ISSN	2194-9387 ; 2194-9379
ISSN (online)	2194-9387
ISSN	2194-9379
DOI	10.1055/a-1202-9959
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Article ; Online: Phytoconstituents in the Management of Covid-19: Demystifying the Fact.

Barkat, Md Abul / Kaushik, Pawan / Barkat, Harshita Abul / Khan, Mohammad Idreesh / Hadi, Hazrina Ab

Drug research

2022 Volume 72, Issue 3, Page(s) 123–130

Abstract: The 2019-nCoV (COVID-19; novel coronavirus disease-2019) outbreak is caused by the coronavirus, and its continued spread is responsible for increasing deaths, social and economic burden. COVID-19 created a chaotic situation worldwide and claimed the ... ...

Abstract	The 2019-nCoV (COVID-19; novel coronavirus disease-2019) outbreak is caused by the coronavirus, and its continued spread is responsible for increasing deaths, social and economic burden. COVID-19 created a chaotic situation worldwide and claimed the lives of over 5,027,183 and 248,467,363 confirmed cases have been reported so far as per the data published by WHO (World Health Organization) till 5
MeSH term(s)	Antiviral Agents/therapeutic use ; COVID-19/drug therapy ; COVID-19 Vaccines ; Humans ; SARS-CoV-2
Chemical Substances	Antiviral Agents ; COVID-19 Vaccines
Language	English
Publishing date	2022-01-03
Publishing country	Germany
Document type	Journal Article ; Review
ZDB-ID	2703847-6
ISSN	2194-9387 ; 2194-9379
ISSN (online)	2194-9387
ISSN	2194-9379
DOI	10.1055/a-1697-5365
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Article: [No title information]

Aggarwal, Ranjana / Kaushik, Pawan / Kumar, Ajay / Saini, Deepika

Drug Research

2020 Volume 70, Issue 11, Page(s) 493–502

Abstract: An efficient and environmental benign solvent-free synthesis of 5-amino-3-aryl-1-(6 -chloropyridazin-3'-yl)pyrazoles : 4a-e): was accomplished by grinding 3-chloro-6-hydrazinopyridazine ...

Abstract	An efficient and environmental benign solvent-free synthesis of 5-amino-3-aryl-1-(6 -chloropyridazin-3'-yl)pyrazoles 4a-e): was accomplished by grinding 3-chloro-6-hydrazinopyridazine 2): and β-ketonitriles 3a-e): in the presence of p -toulenesulfonic acid as a catalyst. Subsequently, 6'-chloro group in 4a-e: was replaced with cyclic 2° amine derivatives viz. pyrrolidine 5a: piperidine 5b: and morpholine 5c: to obtain 6a-e: 7a-e: 8a-e: respectively. The newly synthesized compounds were characterized by using IR, NMR ( 1 H and 13 C), mass spectral studies, elemental analyses. All the synthesized compounds were studied for their docking interaction with target protein 6COX and screened for their in vivo analgesic mode of action against swiss albino mice (animal model) using acetic-acid induced writhing test. Consequently, docking simulations data justifies the potential of synthesized series as an analgesic and very well correlated with in vivo study. Preliminary results revealed that most of the synthesized compounds exhibited moderate to good analgesic activity as compared to reference/standard drug (s) sodium diclofenac and candidates 4d: and 7c: protrude out as a promising lead for further investigation.
Keywords	analgesic drugs ; anti-inflammatory drugs ; biopharmaceuticals ; drug research
Language	English
Publishing date	2020-07-24
Publisher	Georg Thieme Verlag KG
Publishing place	Stuttgart ; New York
Document type	Article
ZDB-ID	2703847-6
ISSN	2194-9387 ; 2194-9379
ISSN (online)	2194-9387
ISSN	2194-9379
DOI	10.1055/a-1202-9959
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Article: [No title information]

Barkat, Md. Abul / Kaushik, Pawan / Barkat, Harshita Abul / Khan, Mohammad Idreesh / Hadi, Hazrina Ab

Drug Research

2022 Volume 72, Issue 03, Page(s) 123–130

Abstract	The 2019-nCoV (COVID-19; novel coronavirus disease-2019) outbreak is caused by the coronavirus, and its continued spread is responsible for increasing deaths, social and economic burden. COVID-19 created a chaotic situation worldwide and claimed the lives of over 5,027,183 and 248,467,363 confirmed cases have been reported so far as per the data published by WHO (World Health Organization) till 5 th November 2021. Scientific communities all over the world are toiling to find a suitable therapeutic drug for this deadly disease. Although till date no promising drug has been discovered for this COVID-19. However, as per the WHO, over 102 COVID-19 vaccines are in clinical development and 185 in pre-clinical development. Naturally occurring phytoconstituents possess considerable chemical richness in the form of anti-viral and anti-parasitic potential and have been extensively exploited for the same globally. Still, phytomedicine-based therapies are considered as the best available treatment option to minimize and treat the symptoms of COVID-19 because of the least possible side effects compared to synthetic drugs recommended by the physicians/clinicians. In this review, the use of plant chemicals as a possible therapeutic agent for severe acute respiratory syndrome coronavirus 2 (SARS CoV2) is highlighted with their proposed mechanism of action, which will prove fruitful and effective in finding a cure for this deadly disease.
Keywords	Coronavirus ; COVID-19 ; Phytochemicals ; SARS-CoV2 ; Phytomedicine ; clinical and pre-clinical development
Language	English
Publishing date	2022-01-03
Publisher	Georg Thieme Verlag
Publishing place	Stuttgart ; New York
Document type	Article
ZDB-ID	2703847-6
ISSN	2194-9387 ; 2194-9379
ISSN (online)	2194-9387
ISSN	2194-9379
DOI	10.1055/a-1697-5365
Database	Thieme publisher's database

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Article: Synthesis, Computational Studies and Anticonvulsant Activity of Novel Benzothiazole Coupled Sulfonamide Derivatives.

Khokra, Sukhbir L / Arora, Kanika / Khan, Shah A / Kaushik, Pawan / Saini, Reetu / Husain, Asif

Iranian journal of pharmaceutical research : IJPR

2019 Volume 18, Issue 1, Page(s) 1–15

Abstract: We report herein the synthesis of ¾ substituted benzene sulfonamides linked via phenyl ring to a benzothiazole moiety. The title compounds in the two series ... ...

Abstract	We report herein the synthesis of ¾ substituted benzene sulfonamides linked via phenyl ring to a benzothiazole moiety. The title compounds in the two series namely
Language	English
Publishing date	2019-04-04
Publishing country	Iran
Document type	Journal Article
ZDB-ID	2578271-X
ISSN	1726-6890 ; 1735-0328 ; 1735-0328
ISSN (online)	1726-6890 ; 1735-0328
ISSN	1735-0328
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Article: Ethnobotany and phytopharmacology of Pinus roxburghii Sargent: a plant review.

Kaushik, Pawan / Kaushik, Dhirender / Khokra, Sukhbir Lal

Journal of integrative medicine

2013 Volume 11, Issue 6, Page(s) 371–376

Abstract: Traditional medicine is a blend of information gathered over generations from various communities and cultures. Pinus roxburghii Sargent (Pinaceae) commonly known as "chir pine" is widely used in traditional and folkloric systems of medicine. The all ... ...

Abstract	Traditional medicine is a blend of information gathered over generations from various communities and cultures. Pinus roxburghii Sargent (Pinaceae) commonly known as "chir pine" is widely used in traditional and folkloric systems of medicine. The all parts of the plant are believed to possess medicinal qualities in Ayurvedic and Unani systems of medicine. In these traditional systems of medicine, the plant is used to heal many diseases, including afflictions of the eyes, ears, throat, blood, and skin. The plant parts are rich in various bioactive compounds such as α-pinene, abietic acid, quercetin and xanthone. Resin acids and flavanoid form a major portion of these bioactive compounds. This review presents examples of traditional medicinal uses for P. roxburghii, and subsequently explores the current understanding of the chemical, pharmacological, and biochemical properties of the extracts and the main active constituents found in each tissue of the plant. Clinical trial information is also included where available. Careful evaluation of these data may be helpful for scientists and researchers to discover and evaluate the specific chemical entities responsible for the traditional medicinal uses of P. roxburghii.
MeSH term(s)	Animals ; Ethnobotany ; Humans ; Phytotherapy ; Pinus/chemistry ; Plant Extracts/pharmacology ; Plant Extracts/therapeutic use
Chemical Substances	Plant Extracts
Language	English
Publishing date	2013-11
Publishing country	China
Document type	Journal Article ; Review
ZDB-ID	2705612-0
ISSN	2095-4964
ISSN	2095-4964
DOI	10.3736/jintegrmed2013053
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Article: Pharmacophore Modeling and Molecular Docking Studies on Pinus roxburghii as a Target for Diabetes Mellitus.

Kaushik, Pawan / Lal Khokra, Sukhbir / Rana, A C / Kaushik, Dhirender

Advances in bioinformatics

2014 Volume 2014, Page(s) 903246

Abstract: The present study attempts to establish a relationship between ethnopharmacological claims and bioactive constituents present in Pinus roxburghii against all possible targets for diabetes through molecular docking and to develop a pharmacophore model for ...

Abstract	The present study attempts to establish a relationship between ethnopharmacological claims and bioactive constituents present in Pinus roxburghii against all possible targets for diabetes through molecular docking and to develop a pharmacophore model for the active target. The process of molecular docking involves study of different bonding modes of one ligand with active cavities of target receptors protein tyrosine phosphatase 1-beta (PTP-1β), dipeptidyl peptidase-IV (DPP-IV), aldose reductase (AR), and insulin receptor (IR) with help of docking software Molegro virtual docker (MVD). From the results of docking score values on different receptors for antidiabetic activity, it is observed that constituents, namely, secoisoresinol, pinoresinol, and cedeodarin, showed the best docking results on almost all the receptors, while the most significant results were observed on AR. Then, LigandScout was applied to develop a pharmacophore model for active target. LigandScout revealed that 2 hydrogen bond donors pointing towards Tyr 48 and His 110 are a major requirement of the pharmacophore generated. In our molecular docking studies, the active constituent, secoisoresinol, has also shown hydrogen bonding with His 110 residue which is a part of the pharmacophore. The docking results have given better insights into the development of better aldose reductase inhibitor so as to treat diabetes related secondary complications.
Language	English
Publishing date	2014-07-10
Publishing country	Egypt
Document type	Journal Article
ZDB-ID	2448875-6
ISSN	1687-8035 ; 1687-8027
ISSN (online)	1687-8035
ISSN	1687-8027
DOI	10.1155/2014/903246
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Article ; Online: Solvent-free synthesis of bacillamide analogues as novel cytotoxic and anti-inflammatory agents.

Kumar, Sunil / Aggarwal, Ranjana / Kumar, Virender / Sadana, Rachna / Patel, Bhumi / Kaushik, Pawan / Kaushik, Dhirender

European journal of medicinal chemistry

2016 Volume 123, Page(s) 718–726

Abstract: Synthesis of fourteen analogues of bacillamide, a bioactive tryptamide alkaloid of marine origin, has been accomplished through a highly efficient convergent route. The present solvent-free protocol involves the formation of thiazole ring in the initial ... ...

Abstract	Synthesis of fourteen analogues of bacillamide, a bioactive tryptamide alkaloid of marine origin, has been accomplished through a highly efficient convergent route. The present solvent-free protocol involves the formation of thiazole ring in the initial step followed by amide coupling between substituted ethyl 2-alkyl/aryl/heteroaryl/amino/aminoarylthiazole-4-carboxylates and tryptamine in presence of 2-hydroxy-4,6-dimethylpyrimidine, a solid phase catalyst to yield N-[2-(1H-indol-3-yl)ethyl]-2-alkyl/aryl/heteroaryl/amino/aminoarylthiazole-4-carboxamides as bacillamide analogues having structural variation at position-2 of thiazole ring. Bacillamide and its analogues were evaluated for their cytotoxic activity against three cancer cell lines (HCT-116, MDA-MD-231 and JURKAT cell lines) using colorimetric cell proliferation assay. Compounds 17a and 17b exhibited potent anti-cell proliferation activity with IC50 values in the range of ∼3.0 μM and ∼0.1-0.6 μM, respectively against these cell lines. Preliminary mechanism of action studies indicates that these compounds initiate caspase dependent apoptosis. Also, compounds 16d, 16f, 17a and 17d exhibited excellent anti-inflammatory activity comparable to well-known NSAID indomethacin and better to bacillamide, when evaluated using carrageenan induced rat hind paw oedema method.
MeSH term(s)	Animals ; Anti-Inflammatory Agents, Non-Steroidal/chemical synthesis ; Anti-Inflammatory Agents, Non-Steroidal/chemistry ; Anti-Inflammatory Agents, Non-Steroidal/pharmacology ; Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Antineoplastic Agents/pharmacology ; Apoptosis/drug effects ; Cell Line, Tumor ; Cell Proliferation/drug effects ; Chemistry Techniques, Synthetic ; Green Chemistry Technology ; Humans ; Rats ; Structure-Activity Relationship ; Thiazoles/chemical synthesis ; Thiazoles/chemistry ; Thiazoles/pharmacology
Chemical Substances	Anti-Inflammatory Agents, Non-Steroidal ; Antineoplastic Agents ; Thiazoles
Language	English
Publishing date	2016-11-10
Publishing country	France
Document type	Journal Article
ZDB-ID	188597-2
ISSN	1768-3254 ; 0009-4374 ; 0223-5234
ISSN (online)	1768-3254
ISSN	0009-4374 ; 0223-5234
DOI	10.1016/j.ejmech.2016.07.033
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Article ; Online: Synthesis and biological evaluation of pyrazolylthiazole carboxylic acids as potent anti-inflammatory-antimicrobial agents.

Khloya, Poonam / Kumar, Satish / Kaushik, Pawan / Surain, Parveen / Kaushik, Dhirender / Sharma, Pawan K

Bioorganic & medicinal chemistry letters

2015 Volume 25, Issue 6, Page(s) 1177–1181

Abstract: Current Letter presents design, synthesis and biological evaluation of a novel series of pyrazolylthiazole carboxylates 1a-1p and corresponding acid derivatives 2a-2p. All 32 novel compounds were tested for their in vivo anti-inflammatory activity by ... ...

Abstract	Current Letter presents design, synthesis and biological evaluation of a novel series of pyrazolylthiazole carboxylates 1a-1p and corresponding acid derivatives 2a-2p. All 32 novel compounds were tested for their in vivo anti-inflammatory activity by carrageenan-induced rat paw edema method as well as for in vitro antimicrobial activity. All the tested compounds exhibited excellent AI activity profile. Three compounds 1p (R=Cl, R(1)=Cl), 2c (R=H, R(1)=F) and 2n (R=Cl, R(1)=OCH3) were identified as potent anti-inflammatory agents exhibiting edema inhibition of 93.06-89.59% which is comparable to the reference drug indomethacin (91.32%) after 3h of carrageenan injection while most of the other compounds displayed inhibition ⩾80%. In addition, pyrazolylthiazole carboxylic acids (2a-2p) also showed good antimicrobial profile. Compound 2h (R=OCH3, R(1)=Cl) showed excellent antimicrobial activity (MIC 6.25μg/mL) against both Gram positive bacteria comparable with the reference drug ciprofloxacin (MIC 6.25μg/mL).
MeSH term(s)	Animals ; Anti-Infective Agents/chemical synthesis ; Anti-Infective Agents/pharmacology ; Anti-Infective Agents/therapeutic use ; Anti-Inflammatory Agents/chemical synthesis ; Anti-Inflammatory Agents/pharmacology ; Anti-Inflammatory Agents/therapeutic use ; Carboxylic Acids/chemistry ; Carboxylic Acids/pharmacology ; Carboxylic Acids/therapeutic use ; Edema/chemically induced ; Edema/drug therapy ; Fungi/drug effects ; Gram-Positive Bacteria/drug effects ; Indomethacin/pharmacology ; Indomethacin/therapeutic use ; Microbial Sensitivity Tests ; Pyrazoles/chemistry ; Rats ; Thiazoles/chemistry
Chemical Substances	Anti-Infective Agents ; Anti-Inflammatory Agents ; Carboxylic Acids ; Pyrazoles ; Thiazoles ; Indomethacin (XXE1CET956)
Language	English
Publishing date	2015-03-15
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1063195-1
ISSN	1464-3405 ; 0960-894X
ISSN (online)	1464-3405
ISSN	0960-894X
DOI	10.1016/j.bmcl.2015.02.004
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Article ; Online: Molecular docking design and one-pot expeditious synthesis of novel 2,5-diarylpyrazolo[1,5-a]pyrimidin-7-amines as anti-inflammatory agents.

Aggarwal, Ranjana / Singh, Gulshan / Kaushik, Pawan / Kaushik, Dhirender / Paliwal, Deepika / Kumar, Ajay

European journal of medicinal chemistry

2015 Volume 101, Page(s) 326–333

Abstract: A series of novel 2,5-diarylpyrazolo[1,5-a]pyrimidin-7-amines were designed as COX-2 inhibitors by molecular docking studies and their synthesis was accomplished via an expeditious one-pot reaction. Structures of the compounds were established by NMR ((1) ...

Abstract	A series of novel 2,5-diarylpyrazolo[1,5-a]pyrimidin-7-amines were designed as COX-2 inhibitors by molecular docking studies and their synthesis was accomplished via an expeditious one-pot reaction. Structures of the compounds were established by NMR ((1)H-(13)C), IR spectroscopy and high resolution mass spectrometry. All the eleven compounds have been screened for their in vivo anti-inflammatory activity on rats by carrageenan-induced rat paw edema assay. Correlation studies of calculated moldock score and observed percentage inhibition have also been carried out which concluded that the synthesized 2,5-diarylpyrazolo[1,5-a]pyrimidin-7-amines act as potent anti-inflammatory agents up to the 4th hour of study.
MeSH term(s)	Animals ; Anti-Inflammatory Agents, Non-Steroidal/chemical synthesis ; Anti-Inflammatory Agents, Non-Steroidal/chemistry ; Anti-Inflammatory Agents, Non-Steroidal/pharmacology ; Carrageenan ; Cyclooxygenase 2/metabolism ; Cyclooxygenase 2 Inhibitors/chemical synthesis ; Cyclooxygenase 2 Inhibitors/chemistry ; Cyclooxygenase 2 Inhibitors/pharmacology ; Dose-Response Relationship, Drug ; Drug Design ; Edema/chemically induced ; Edema/drug therapy ; Male ; Molecular Docking Simulation ; Molecular Structure ; Pyrazoles/chemical synthesis ; Pyrazoles/chemistry ; Pyrazoles/pharmacology ; Pyrimidines/chemical synthesis ; Pyrimidines/chemistry ; Pyrimidines/pharmacology ; Rats ; Rats, Wistar ; Structure-Activity Relationship
Chemical Substances	Anti-Inflammatory Agents, Non-Steroidal ; Cyclooxygenase 2 Inhibitors ; Pyrazoles ; Pyrimidines ; Carrageenan (9000-07-1) ; Cyclooxygenase 2 (EC 1.14.99.1)
Language	English
Publishing date	2015-08-28
Publishing country	France
Document type	Journal Article
ZDB-ID	188597-2
ISSN	1768-3254 ; 0009-4374 ; 0223-5234
ISSN (online)	1768-3254
ISSN	0009-4374 ; 0223-5234
DOI	10.1016/j.ejmech.2015.06.011
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