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Article ; Online: Call for Papers: Medicinal Chemistry of Next Generation Vaccine Adjuvants.

Salunke, Deepak B / Lindsley, Craig W

2023 Volume 66, Issue 15, Page(s) 10119–10121

Language	English
Publishing date	2023-07-25
Publishing country	United States
Document type	Editorial
ZDB-ID	218133-2
ISSN	1520-4804 ; 0022-2623
ISSN (online)	1520-4804
ISSN	0022-2623
DOI	10.1021/acs.jmedchem.3c01248
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Article ; Online: Structure-activity relationship in NOD2 agonistic muramyl dipeptides.

Kamboj, Aarzoo / Patil, Madhuri T / Petrovsky, Nikolai / Salunke, Deepak B

European journal of medicinal chemistry

2024 Volume 271, Page(s) 116439

Abstract: Nucleotide-binding oligomerization domain 2 (NOD2) is a receptor of the innate immune system that is capable of perceiving bacterial and viral infections. Muramyl dipeptide (MDP, N-acetyl muramyl L-alanyl-d-isoglutamine), identified as the minimal ... ...

Abstract	Nucleotide-binding oligomerization domain 2 (NOD2) is a receptor of the innate immune system that is capable of perceiving bacterial and viral infections. Muramyl dipeptide (MDP, N-acetyl muramyl L-alanyl-d-isoglutamine), identified as the minimal immunologically active component of bacterial cell wall peptidoglycan (PGN) is recognized by NOD2. In terms of biological activities, MDP demonstrated vaccine adjuvant activity and stimulated non-specific protection against bacterial, viral, and parasitic infections and cancer. However, MDP has certain drawbacks including pyrogenicity, rapid elimination, and lack of oral bioavailability. Several detailed structure-activity relationship (SAR) studies around MDP scaffolds are being carried out to identify better NOD2 ligands. The present review elaborates a comprehensive SAR summarizing structural aspects of MDP derivatives in relation to NOD2 agonistic activity.
Language	English
Publishing date	2024-04-20
Publishing country	France
Document type	Journal Article ; Review
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.2024.116439
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Article ; Online: Diverse chemical space of indoleamine-2,3-dioxygenase 1 (Ido1) inhibitors.

Singh, Rahul / Salunke, Deepak B

European journal of medicinal chemistry

2020 Volume 211, Page(s) 113071

Abstract: Indoleamine-2,3-dioxygenase 1 (IDO1) catalyses the first and rate limiting step of kynurenine pathway accounting for the major contributor of L-Tryptophan degradation. The Kynurenine metabolites are identified as essential cofactors, antagonists, ... ...

Abstract	Indoleamine-2,3-dioxygenase 1 (IDO1) catalyses the first and rate limiting step of kynurenine pathway accounting for the major contributor of L-Tryptophan degradation. The Kynurenine metabolites are identified as essential cofactors, antagonists, neurotoxins, immunomodulators, antioxidants as well as carcinogens. The catalytic active site of IDO1 enzyme consists of hydrophobic Pocket-A positioned in the distal heme site and remains connected to a second hydrophobic Pocket-B towards the entrance of the active site. IDO1 enzyme also relates directly to the modulation of the innate and adaptive immune system. Various studies proved that the over expression of IDO1 enzyme play a predominant role in the escape of immunity during cancer progression. Recently, there has been considerable interest in evaluating the potential of IDO1 inhibitors to mobilize the body's immune system against solid tumours. In the last two decades, enormous attempts to advance new IDO1 inhibitors are on-going both in pharmaceutical industries and in academia which resulted in the discovery of a diverse range of selective and potent IDO1 inhibitors. The IDO1 inhibitors have therapeutic utility in various diseases and in the near future, it may have utility in the treatment of COVID-19. Despite various reviews on IDO1 inhibitors in last five years, none of the reviews provide a complete overview of diverse chemical space including naturally occurring and synthetic IDO1 inhibitors with detailed structure activity relationship studies. The present work provides a complete overview on the IDO1 inhibitors known in the literature so far along with the Structure-Activity Relationship (SAR) in each class of compounds.
MeSH term(s)	Biological Products ; COVID-19/drug therapy ; Enzyme Inhibitors/chemistry ; Enzyme Inhibitors/pharmacology ; Enzyme Inhibitors/therapeutic use ; Humans ; Indoleamine-Pyrrole 2,3,-Dioxygenase/antagonists & inhibitors ; Structure-Activity Relationship
Chemical Substances	Biological Products ; Enzyme Inhibitors ; IDO1 protein, human ; Indoleamine-Pyrrole 2,3,-Dioxygenase
Language	English
Publishing date	2020-12-02
Publishing country	France
Document type	Journal Article ; Review
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.2020.113071
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Article ; Online: Recent advances in steroid amino acid conjugates: Old scaffolds with new dimensions.

Singla, Poonam / Salunke, Deepak B

European journal of medicinal chemistry

2019 Volume 187, Page(s) 111909

Abstract: Hybrid chemical compounds formed by conjugation of two or more bioactive molecules have shown wide variety of applications in biology, microelectronics as well as material sciences. In particular, the conjugates of steroid framework are known to have ... ...

Abstract	Hybrid chemical compounds formed by conjugation of two or more bioactive molecules have shown wide variety of applications in biology, microelectronics as well as material sciences. In particular, the conjugates of steroid framework are known to have broad biological activity profile due to their ability to penetrate the biomembranes and bind to specific hormone receptors. Among the various conjugates of steroids, Steroid Amino Acid Conjugates (SAACs) are attractive because of the possibility of fine tuning of the amphiphilicity with position, orientation and nature of amino acids. The structural details, applications, mechanistic insights and their diverse pharmacological as well as other physicochemical properties of several SAACs are summarized in the present review. This review provides better insight for medicinal chemists to design and explore such novel conjugates which can be used as lead structures in the future drug discovery or as probes to understand the complex biological system.
MeSH term(s)	Amino Acids/chemistry ; Amino Acids/pharmacology ; Animals ; Humans ; Molecular Conformation ; Steroids/chemistry ; Steroids/pharmacology
Chemical Substances	Amino Acids ; Steroids
Language	English
Publishing date	2019-11-28
Publishing country	France
Document type	Journal Article ; Review
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.2019.111909
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Article: TLR2 agonistic lipopeptide enriched PLGA nanoparticles as combinatorial drug delivery vehicle

Kaur, Arshpreet / Rathee, Jyoti / Kanwar, Rohini / Kaushik, Deepender / Salunke, Deepak B. / Mehta, Surinder K.

Colloids and surfaces. 2022 Aug. 20, v. 647

2022

Abstract: The use of multiple Toll-Like Receptor (TLR) agonists as vaccine adjuvants has been proved to be beneficial against various diseases. Polymeric nanoparticles (Nps) provide wide range of options to incorporate multiple TLR agonists while ensuring optimal ... ...

Abstract	The use of multiple Toll-Like Receptor (TLR) agonists as vaccine adjuvants has been proved to be beneficial against various diseases. Polymeric nanoparticles (Nps) provide wide range of options to incorporate multiple TLR agonists while ensuring optimal delivery and non-toxicity. To synergistically engage the cross-talk of TLR2 and TLR7, we synthesized pathogen mimicking Poly(lactic-co-glycolic acid) (PLGA) Nps encapsulating T7 (TLR7 agonist) and T2 lipopeptide (TLR2 agonist). The single emulsification-solvent evaporation process was employed for the synthesis where both hydrophobic T7 and TLR2 agonists were incorporated in a single step. Fourier Transform Infrared (FTIR) spectroscopy, Thermogravimetric (TGA) and Differential Scanning Calorimetry (DSC) analysis of pure PLGA and both agonists (T2 and T7) were compared with that of synthesized PLGA Nps to better understand the chemical bonding and stability. The physicochemical assessment was performed starting with particle size analysis and was confirmed using Transmission Electron Microscopy (TEM). During in-vitro release studies, about 40% of T7 was released for the first 5 hr followed by a two-day period of sustained release. Kinetics modelling results showed that the release kinetics was unaffected by the addition of T2 lipopeptide into PLGA Nps. These findings confirmed successful co-delivery of both agonists in same cargo that can be utilise to generate a balance immune response against various infectious diseases such as malaria, leishmania, hepatitis, influenza. The higher drug loading and the capability of PLGA suspension to get lyophilised paved the way for long-term storage, effective encapsulation, and co-delivery in vaccination.
Keywords	Fourier transform infrared spectroscopy ; Leishmania ; agonists ; drug carriers ; encapsulation ; evaporation ; freeze drying ; hepatitis ; hydrophobicity ; immune response ; influenza ; lipopeptides ; malaria ; particle size ; pathogens ; polymers ; storage time ; thermogravimetry ; vaccination ; vaccines
Language	English
Dates of publication	2022-0820
Publishing place	Elsevier B.V.
Document type	Article
ZDB-ID	1500517-3
ISSN	0927-7757
ISSN	0927-7757
DOI	10.1016/j.colsurfa.2022.129084
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Structural evolution of toll-like receptor 7/8 agonists from imidazoquinolines to imidazoles.

Kaushik, Deepender / Kaur, Arshpreet / Petrovsky, Nikolai / Salunke, Deepak B

RSC medicinal chemistry

2021 Volume 12, Issue 7, Page(s) 1065–1120

Abstract: Several synthetic heterocyclic small molecules like imiquimod, resiquimod, CL097, CL075, bromopirone, tilorone, loxoribine and isatoribine demonstrated TLR7/8 agonistic activity and relatively modest structural changes in such molecules result in major ... ...

Abstract	Several synthetic heterocyclic small molecules like imiquimod, resiquimod, CL097, CL075, bromopirone, tilorone, loxoribine and isatoribine demonstrated TLR7/8 agonistic activity and relatively modest structural changes in such molecules result in major variation in the TLR7 and/or TLR8 activity. A strict dependency of the electronic configuration of the heterocyclic system was also observed to influence the agonistic activity. In the present review, an evolution of imidazole based TLR7/8 agonist from imidazoquinoline based scaffold is delineated along with the elaboration of detailed structure activity relationship (SAR) in each chemotype. The structural and activity details of not only the active compounds but also the related inactive compounds are included to better understand the SAR. TLR7/8 agonists are emerging as promising vaccine adjuvant candidates and the present SAR and structural information will provide a road map towards the identification of more potent and appropriate candidates for further drug discovery.
Language	English
Publishing date	2021-05-14
Publishing country	England
Document type	Journal Article ; Review
ISSN	2632-8682
ISSN (online)	2632-8682
DOI	10.1039/d1md00031d
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Recent advances in steroid amino acid conjugates

Singla, Poonam / Salunke, Deepak B.

Old scaffolds with new dimensions

2020

Abstract	Hybrid chemical compounds formed by conjugation of two or more bioactive molecules have shown wide variety of applications in biology, microelectronics as well as material sciences. In particular, the conjugates of steroid framework are known to have broad biological activity profile due to their ability to penetrate the biomembranes and bind to specific hormone receptors. Among the various conjugates of steroids, Steroid Amino Acid Conjugates (SAACs) are attractive because of the possibility of fine tuning of the amphiphilicity with position, orientation and nature of amino acids. The structural details, applications, mechanistic insights and their diverse pharmacological as well as other physicochemical properties of several SAACs are summarized in the present review. This review provides better insight for medicinal chemists to design and explore such novel conjugates which can be used as lead structures in the future drug discovery or as probes to understand the complex biological system.
Subject code	540 ; 612
Language	English
Publisher	Elsevier
Publishing country	de
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Toll-like receptor (TLR) agonists as a driving force behind next-generation vaccine adjuvants and cancer therapeutics.

Kaur, Arshpreet / Baldwin, Jeremy / Brar, Deshkanwar / Salunke, Deepak B / Petrovsky, Nikolai

Current opinion in chemical biology

2022 Volume 70, Page(s) 102172

Abstract: Until recently, the development of new human adjuvants was held back by a poor understanding of their mechanisms of action. The field was revolutionized by the discovery of the toll-like receptors (TLRs), innate immune receptors that directly or ... ...

Abstract	Until recently, the development of new human adjuvants was held back by a poor understanding of their mechanisms of action. The field was revolutionized by the discovery of the toll-like receptors (TLRs), innate immune receptors that directly or indirectly are responsible for detecting pathogen-associated molecular patterns (PAMPs) and respond to them by activating innate and adaptive immune pathways. Hundreds of ligands targeting various TLRs have since been identified and characterized as vaccine adjuvants. This work has important implications not only for the development of vaccines against infectious diseases but also for immuno-therapies against cancer, allergy, Alzheimer's disease, drug addiction and other diseases. Each TLR has its own specific tissue localization and downstream gene signalling pathways, providing researchers the opportunity to precisely tailor adjuvants with specific immune effects. TLR agonists can be combined with other TLR or alternative adjuvants to create combination adjuvants with synergistic or modulatory effects. This review provides an introduction to the various classes of TLR adjuvants and their respective signalling pathways. It provides an overview of recent advancements in the TLR field in the past 2-3 years and discusses criteria for selecting specific TLR adjuvants based on considerations, such as disease mechanisms and correlates of protection, TLR immune biasing capabilities, route of administration, antigen compatibility, new vaccine technology platforms, and age- and species-specific effects.
MeSH term(s)	Adjuvants, Immunologic/pharmacology ; Adjuvants, Vaccine ; Humans ; Neoplasms/drug therapy ; Pathogen-Associated Molecular Pattern Molecules ; Toll-Like Receptors ; Vaccines/therapeutic use
Chemical Substances	Adjuvants, Immunologic ; Adjuvants, Vaccine ; Pathogen-Associated Molecular Pattern Molecules ; Toll-Like Receptors ; Vaccines
Language	English
Publishing date	2022-07-01
Publishing country	England
Document type	Journal Article ; Review ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ZDB-ID	1439176-4
ISSN	1879-0402 ; 1367-5931
ISSN (online)	1879-0402
ISSN	1367-5931
DOI	10.1016/j.cbpa.2022.102172
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Article ; Online: Green synthesis of lignin-based nanoparticles as a bio-carrier for targeted delivery in cancer therapy.

Pathania, Khushboo / Sah, Sangeeta P / Salunke, Deepak B / Jain, Manish / Yadav, Ashok Kumar / Yadav, Vikramaditya G / Pawar, Sandip V

International journal of biological macromolecules

2023 Volume 229, Page(s) 684–695

Abstract: Polymeric magnetic nanoparticles have shown higher efficacy in cancer diagnosis and treatment than conventional chemotherapies. Lignin is an abundantly available natural polymer that can be selectively modified using a rapidly expanding toolkit of ... ...

Abstract	Polymeric magnetic nanoparticles have shown higher efficacy in cancer diagnosis and treatment than conventional chemotherapies. Lignin is an abundantly available natural polymer that can be selectively modified using a rapidly expanding toolkit of biocatalytic and chemical reactions to yield 'intelligent' theranostic-nanoprobes. We aim to valorize lignin to develop a natural polymeric-magnetic-nano-system for the targeted delivery of methotrexate. In the current study, we synthesized nanoparticles of lignin and iron oxide with methotrexate using a new approach of anti-solvent precipitation with ultrasonication. The ensuing nanoparticles are magnetic, smooth, polyhedral with characteristic dimension of 110-130 nm. The drug loading and encapsulation efficiencies were calculated to be 66.06 % and 64.88 %, respectively. The nanoparticles exhibit a concentration-dependent release of methotrexate for the initial 24 h, followed by sustained release. Moreover, formulation is non-hemolytic and scavenges radicals owing to the antioxidant property of lignin. Additionally, methotrexate delivered using the nanoparticles exhibited higher cytotoxicity in cellular-viability assays employing breast cancer and macrophage cell lines compared to the pure form of the drug. Synergistic action of lignin, iron oxide, and methotrexate contribute to enhanced caspase-3 activity and reduced glutathione levels in the breast cancer cells, as well as elevated internalization of the drug on account of increased receptor-mediated endocytosis.
MeSH term(s)	Humans ; Female ; Methotrexate/chemistry ; Lignin ; Nanoparticles/chemistry ; Drug Delivery Systems/methods ; Breast Neoplasms/drug therapy ; Polymers
Chemical Substances	Methotrexate (YL5FZ2Y5U1) ; ferric oxide (1K09F3G675) ; Lignin (9005-53-2) ; Polymers
Language	English
Publishing date	2023-01-02
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	282732-3
ISSN	1879-0003 ; 0141-8130
ISSN (online)	1879-0003
ISSN	0141-8130
DOI	10.1016/j.ijbiomac.2022.12.323
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Article ; Online: Recent advances in pharmaceutical and biotechnological applications of lignin-based materials.

Mukheja, Yashdeep / Kaur, Jaspreet / Pathania, Khushboo / Sah, Sangeeta P / Salunke, Deepak B / Sangamwar, Abhay T / Pawar, Sandip V

International journal of biological macromolecules

2023 Volume 241, Page(s) 124601

Abstract: Lignin, a versatile and abundant biomass-derived polymer, possesses a wide array of properties that makes it a promising material for biotechnological applications. Lignin holds immense potential in the biotechnology and pharmaceutical field due to its ... ...

Abstract	Lignin, a versatile and abundant biomass-derived polymer, possesses a wide array of properties that makes it a promising material for biotechnological applications. Lignin holds immense potential in the biotechnology and pharmaceutical field due to its biocompatibility, high carbon content, low toxicity, ability to be converted into composites, thermal stability, antioxidant, UV-protectant, and antibiotic activity. Notably, lignin is an environmental friendly alternative to synthetic plastic and fossil-based materials because of its inherent biodegradability, safety, and sustainability potential. The most important findings related to the use of lignin and lignin-based materials are reported in this review, providing an overview of the methods and techniques used for their manufacturing and modification. Additionally, it emphasizes on recent research and the current state of applications of lignin-based materials in the biomedical and pharmaceutical fields and also highlights the challenges and opportunities that need to be overcome to fully realize the potential of lignin biopolymer. An in-depth discussion of recent developments in lignin-based material applications, including drug delivery, tissue engineering, wound dressing, pharmaceutical excipients, biosensors, medical devices, and several other biotechnological applications, is provided in this review article.
MeSH term(s)	Lignin ; Pharmaceutical Preparations ; Biopolymers ; Biotechnology ; Drug Delivery Systems
Chemical Substances	Lignin (9005-53-2) ; Pharmaceutical Preparations ; Biopolymers
Language	English
Publishing date	2023-04-26
Publishing country	Netherlands
Document type	Journal Article ; Review
ZDB-ID	282732-3
ISSN	1879-0003 ; 0141-8130
ISSN (online)	1879-0003
ISSN	0141-8130
DOI	10.1016/j.ijbiomac.2023.124601
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