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Cancer is the leading cause of mortality worldwide. Conventional chemotherapeutic agents pose a drawback as they are nonspecific. There is an urgent need to identify and design novel targets specific to the tumor. Almost 90,000 species of plants are used as a source of medicines to treat the majority of the disease including cancer. The objective of this study was to understand the interactions between the active phytochemicals selected on the basis of literature review and target oncoproteins in order to find out the biomolecules having strongest bonding actions. Molecular Docking of c-MYC, EGFR and ERBB2 with the selected Phytochemicals showed highest binding energy -7.8 Kcal/mol of EGCG with c-MYC, -8.7 Kcal/mol of Curcumin with EGFR, and -9.4 Kcal/mol of Quercetin with ERBB2. Moreover, molecular dynamics simulation data showed all three phytochemicals exhibits strong stability on their respective targets. Our studies reveal that these three phytochemicals could be promising candidates in designing and optimizing therapeutic strategies against cancer.
Chandel, V., Srivastava, M., Srivastava, A., Asthana, S., & Kumar, D. (2020). In-silico interactions of active Phytochemicals with c-MYC EGFR and ERBB2 oncoproteins. Chemical Biology Letters, 7(1), 47-54.
Severe side effects as well as the cost of chemotherapy necessitate the need for alternative therapies. Use of plant derived drugs is on the increase for the treatment of various diseases including cancer. This study was designed to explore the effects of the aqueous extract of the ripe fruits of Ziziphus jujube on MCF-7, HCT116 and HEK 293 cell lines to examine the possibility of it being developed as a therapeutic aid in cancer treatment. Cells were exposed to different doses (0-2mg/ml) of the aqueous extract for different time durations ranging from 24h to 72hr. Cell viability and the change in expression of various apoptosis related genes such as Bcl2, Bax, caspase-3 and caspase-9 were studied. Rate of proliferation of the cancer cells (MCF-7 and HCT116) decreased on exposure to the extract in a time and concentration dependent manner. Expression levels of all the genes studied, except Bcl2, showed an increase. Bcl2 expression was inversely proportional to time and concentration of the extract. Levels of activated caspases 3 and 9 were also increased. This report points to the possibility of developing the extract of Ziziphus jujube as a drug for the treatment of cancer.
Pillai, R. G. (2020). Antiproliferative actions of Ziziphus jujube fruit extract is mediated through alterations in Bcl2-Bax ratio and through the activation of caspases: Anti cancer mechanism of Ziziphus jujube Ber extract. Chemical Biology Letters, 7(1), 41-46.
Design, synthesis and evaluation of 4H-Chromene-4-one analogues as potential Anti-bacterial and Anti-fungal agents
Nidhi Singh Amity University Uttar Pradesh
Shridhar Satpute Dr. Ambedkar College
Naveen Polkam Jawaharlal Nehru Technological University
Ravi Kant Shri Ramswaroop Memorial University
Jaya Shree Anireddy Jawaharlal Nehru Technological University
Deepa Panhekar Dr. Ambedkar College
Jaya Pandey Amity University Uttar Pradesh
Keywords: 4H-chromen-4-one, Oxidative Michael addition, in-silico analysis, drug likeness score, Molecular modelling, chromones
A library of 28 newer 4H-chromen-4-one derivatives were designed, synthesized and screened for their antibacterial and antifungal efficacy against a panel of bacterial and fungal causative species. Fries and oxa-Michael protocols were employed to achieve the target compound. From the assayed, compounds 5c, 5e, 6a, 7b, 7d, 9a and 9b demonstrated promising anti-bacterial profile whereas products 6a, 7b, 8b and 9c elicited excellent anti-fungal properties. Further, in silico molecular properties were predicted for these sketched analogues to assess their bio availability and drug likeness by using molinspiration software/toolkit. None of them violated Lipinski’s rule of five, signifying them as better anti-bacterial and anti-fungal agents. Both in-silico and biological studies predict derivative 6a and 7b as best agent.
Cite as: 1. N. Singh, S. Satpute, N. Polkam, et al. Design, synthesis and evaluation of 4H-Chromene-4-one analogues as potential Anti-bacterial and Anti-fungal agents. Chem. Biol. Lett.2020, 7 (1), 27–40.
Contemporary advances in therapeutic portfolio of 2-Azetidinones
Rajneesh Kaur Maharishi Markandeshwar (Deemed to be University)
Dr. (Mrs.) Raman Singh Maharishi Markandeshwar (Deemed to be University)
Priyanka Ahlawat Maharishi Markandeshwar (Deemed to be University)
Parul Kaushik Maharishi Markandeshwar (Deemed to be University)
Kuldeep Singh Maharishi Markandeshwar University
Keywords: β-lactams, monobactam, antimicrobial drug resistance, biological activity, multi target drugs
The heterocycle moieties form the site of reaction in many enzymes and co-enzymes and also act as an important pharmacophore in the pharmaceutical drug designs. 2-Azetidinones are the 2-carbonyl derivatives of azetidine, more commonly known as ?-lactams. These structural entities occupied a central role in the vigil against bacterial infections over the past few decades. A subclass of these heterocyclic systems, monobactams or monocyclic ?-lactam derivatives exhibits several biological activities including antibacterial, antifungal, antiprotozoal, anti-mycobacterial, anti-HIV, antiviral, antimalarial, antioxidant, apoptotic inhibitors, anti-inflammatory activity, anticancer activity, herbicidal activity, etc. Monobactams has resistant to the ?-lactamase enzyme and could be a reasonable starting point for developing new drugs or inhibitors. In the present review, pharmacological activities of monocyclic ?-lactam derivatives have been discussed with respect to current research in the structure-activity relationships in different therapeutic areas.
Cite as: K. Rajneesh, R. Singh, P. Ahlawat, P. Kaushik, K. Singh. Contemporary advances in therapeutic portfolio of 2-Azetidinones. Chem. Biol. Lett.2020, 7 (1), 13–26.
Current advances in drug delivery systems for treatment of Triple negative breast cancer (TNBC)
Pooja Mittal University of Delhi
Sujata Singh University of Delhi
Archana Singh University of Delhi
Indrakant K. Singh University of Delhi
Keywords: Drug delivery, Nanomedicine, Nanobiotechnology, Liposome, Nanoparticles, Hydrogels, Aptamer
Triple negative breast cancer, the most malignant and aggressive form of breast cancer, is accompanied with poor prognosis in patients. Characterized by the absence of expression of estrogen receptor, progesterone receptor and human epidermal growth factor receptor-2, TNBC cells are unresponsive to hormonal therapy. With only cytotoxic chemotherapy drugs as an established treatment option, tumor-targeted delivery of drugs becomes an important parameter to prevent or attenuate chemotherapy-associated side effects and toxicity in TNBC patients. Despite the current advances in TNBC-targeting drug delivery systems (TNBC-TDDS), the treatment outcome remains relatively low. These systems face challenges of drug instability and decreased drug-loading potential. In addition, further investigations are required to address formulations, route of administration, frequency of disease recurrence and non-target side effects, apart from cutting down the cost of development. This concise review summarizes the most recent findings in the field of TNBC-TDDS and highlights the future directions and research perspectives.
Cite as: P. Mittal, S. Singh, A. Singh, I.K. Singh. Current advances in drug delivery systems for treatment of Triple negative breast cancer (TNBC). Chem. Biol. Lett.2020, 7 (1), 1–12..
Nuclear Medicine, a medical specialty involving the application of radioactive substances and magnetic materials in the diagnosis and treatment of disease have been highly successful in diagnosis of difficult to detect diseases and therapy of various dreaded diseases. Recently, there have been a tremendous research progress in development of newer methods, conjugates and pharmaceuticals for diagnosis and therapy using nanomaterials and nanomedicine approaches in radioactive materials.
The purpose of this special issue proposal is to summarize the recent advances in the field of new NanoMedicinal and Nanobiotechnological advances in development of probes and materials for potential molecular targets and understanding of their mechanism of actions, new radioconjugates development using nanobiomaterials, clinical evaluation and application of new Nano-radiopharmaceuticals, and new techniques/therapy development using Biomaterials. Recent progress will be covered through research articles, review articles and short communications.
The subtopics to be covered in this issue are (though not limited to):
– NanoChemistry of new radioactive elements. – Organic chemistry of Nano-radiopharmaceuticals, chelating agents and standalone Nano-radiopharmaceuticals. – Progress in SPECT using Nanobiomaterials. – Progress in Nano-Positron Emission Tomography (nanoPET). – Application of nanoscience and nanotechnology to Nuclear Medicine. – Identification of new therapeutic targets. – Treatment advances of various diseases – cancer, infections, inflammations etc using nano-radiopharmaceuticals. – Clinical studies and evaluation of nano-radiopharmaceuticals. – Malarial/mycobacterial/microbial/viral diagnosis and therapy development using nano(bio)materials including biochemical aspects of nano-biomaterials. – Therapeutic and diagnostic applications of new nano and biomaterials. – New therapeutic policies and emerging targets for Nuclear nanoMedicine. – New approaches adopted for the development of nanomedicine of new radiodiagnostic and radiotherapeutic molecules. – Rational design and drug discovery-Structure-activity relationship (SAR). – NanoDrug Delivery of radiopharmaceuticals – application of different nanobiotechnology conjugates and systems in radiopharmaceuticals. – Synthetic strategies of new radioactive conjugate molecules. – Molecular self-assembly as drug delivery carriers of radiopharmaceuticals – Nanotechnology and Biotechnology. – Environmental aspects, safety measures advances in nuclear medicine.
Manuscript submission: Submission open and ongoing now. Issue Completion: August 2020.
Nuclear and Nano-Medicine researchers are invited to submit their research / review article for this special issue. Manuscript should be prepared and submitted as per author guidelines provided on journal site.
Author Guidelines for preparation of manuscript:
Manuscript template (download): Download template MS word 2007-2010, Citation manager style files and other details are provided in author guidelines section on journal site.
Silica nanoparticles offer a promising platform for the delivery of drugs, in particular for the drugs which lack water solubility, target capability and have non-specific distribution, systematic toxicity and low therapeutic index. In this review, we focus on the synthesis and therapeutic (particularly, anti-cancer) applications of Curcumin loaded Silica Nanoparticles. Various surface modifications of silica nanoparticles have been discussed that are used to enhance their therapeutic applications. The characterization techniques and study of their biocompatibility have also been presented.
Cite as: Pant, P., Gupta , C., Kumar, S., Grewal, A., Garg, S., & Rai, A. (2020). Curcumin loaded Silica Nanoparticles and their therapeutic applications: A review. Journal of Materials NanoScience, 7(1), 1-18.
Keywords: New Virus, SARS-Cov-2, Corona Virus, Pharmaceuticals, Medicinal Chemistry, Diagnosis, Chemical Drugs, Epidemiology, Cell Mechanism, Anti-viral drugs, Antibody Therapy, Pharmacology
The recent outbreak of Corona virus SARS-CoV-2 disease COVID-19 in the China and subsequent intermittent spread of infection to other countries has alarmed the medical and scientific community mainly because of lethal nature of this infection. Being a new virus in the category, the immediate emergency therapy is not available for the treatment of this disease, leading to widespread fear of infection and has created social issues for infected peoples. Herein, the epidemiology of COVID-19 infection, transmission characteristics of SARS-CoV-2 virus spread, effectiveness of preventive measures, coronavirus family, structural characteristics of virus, current literature advances for the diagnostics development (RT-PCR, CT-Scan, Elisa) and possible drug development based virus life cycle (Entry inhibitors, replication inhibitors, nucleoside, nucleotide, protease inhibitors, heterocyclic drugs, including biological therapeutics (monoclonal antibodies therapy, vaccine development) and herbal formulations have been reviewed. The chemical drug molecules with prospective application in the treatment of COVID-19 have been included in the discussion.
Cite as: Chhikara, B. S., Rathi, B., Singh, J., & Poonam (2020). Corona virus SARS-CoV-2 disease COVID-19: Infection, prevention and clinical advances of the prospective chemical drug therapeutics: A review on Corona Virus Disease COVID-19, epidemiology, prevention, and anticipated therapeutic advances. Chemical Biology Letters, 7(1), 63-72.
This is open access article published as part of priority information sharing for emergency infection COVID-19 (CBL journal confirmed its association for the priority availability of articles related with COVID-19 infection with Open Access (The Wellcome Trust, U.K. signatories).
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A convenient and cost-effective methodology has been developed for the synthesis of some 2-substituted-4,6- diarylpyrimidines through one-pot conversion of various substituted chalcones, S-benzylthiouronium chloride (SBT) and morpholine using NiO nanoparticles as a reusable and economic catalyst. The deployment of this catalyst empowers the synthesis of variety of 2-(4- morpholinyl)-4,6-diarylpyrimidines in improved yields with easy work-up in a relatively short reaction time. The synthesized compounds have been studied for their potential anti-microbial and anti-tumor activities.
Cite as: Khyaliya, P., Devi, A. P., Kumar, S., Kant, R., & Ameta, K. L. (2020). Anti-microbial and anti-tumor studies of newly synthesized 2-(4-morpholinyl)-4,6-diarylpyrimidines using nanosized NiO catalytic framework. Chemical Biology Letters, 7(1), 55-62.