Tahmeena Khan

Integral University · Department of Chemistry

This paper reports the mixed ligand-metal complexes of CuSO 4 ·5H 2 O and ZnSO 4 ·7H 2 O with salicylaldehyde thiosemicar-bazone (2-hydroxybenzaldehyde thiosemicarbazone) as primary ligand and imidazole (im), pyridine (py) and triphenylphos-phine (PPh 3) as secondary ligands through a general preparatory route. The ligand and complexes were charact...

Visible light-driven photocatalysts with less charge transfer resistance and large separation are considered promising materials to address the challenges of environmental contamination. In this study, a nanocomposite of lanthanum ferrite and antimony oxide heterojunction (LaFe2O3/Sb2O3) was synthesized by facile hydrothermal method for photocataly...

The dinuclear complexes of Schiff bases possess interesting structures and activity spectrum. Five mixed metal complexes of 2-butanone thiosemicarbazone were prepared and characterized by different spectroscopic techniques. Molecular docking studies were done with the selected proteins. Computational drug likeness prediction was done using automate...

This paper reports the synthesis of a cost-effective, stable, and reproducible Boron-doped copper oxide (B–CuO)/ Reduced graphene oxide (rGO) binary nanocomposite. A conventional wet chemical synthetic route was used to fabricate the binary nanocomposite. X-ray diffraction (XRD) studies were performed to check the phase purity and crystallinity, sc...

Computational Toxicology for Drug Safety and a Sustainable Environment is a primer on computational techniques in environmental toxicology for scholars. The book presents 9 in-depth chapters authored by expert academicians and scientists aimed to give readers an understanding of how computational models, software and algorithms are being used to pr...

The development of antibiotic resistance is one of the most pressing problems in global healthcare. Microbial resistance to antibiotics might be combatted by the use metal-oxide-based nanoparticles (NPs). Many studies have shown that Copper oxide nanoparticles (CuO NPs) have potent antibacterial activity against different Gram-positive and Gram-neg...

Abstract: Schiff bases form metal chelates which show good antimicrobial, anticancer properties etc. Due to poor solubility, poor bioavailability, researchers now conjugated these Schiff bases to nanoparticles which enhance the solubility and bioavailability for better results. This paper reports the nanocojugation of Schiff bases and their divers...

This paper reports the synthesis of graphene oxide nanosheet (GONS) through the modified Hummer’s method. The characterization was done by X-ray diffraction (XRD), UV-Visible, and Fourier transform infrared (FT-IR) spectroscopic methods. Scanning Electron Micrograph (SEM) was employed to study morphological features of the nanosheet showing the for...

Biomedical applications of nanomaterials have gained attention because of their pivotal role in the improvement of human health. As compared to bulk material, nanomaterials have improved diagnostic and therapeutic applications. Carbon-based nanomaterials have remarkable potential for biomedical applications like biosensing, drug delivery, and gene...

Indoor air quality (IAQ) is significantly impacted by ambient air pollution, and assessing and understanding pollution causes is crucial for developing mitigation plans. The prospect of a "smart environment" using IoT is being explored to improve indoor living conditions. Technological advancements have simplified the design of ambient assisted liv...

This book titled "Basics of Food Chemistry‟ is written for Undergraduate and Postgraduate students as per the new National Education Policy (NEP 2020). This book covers important aspects of Food Chemistry, which is an important branch of science and deals with the study of chemical processes and interactions of all biological and non biological com...

Nanocomposites have attracted great attention due to their outstanding properties compared to bulk materials for many applications in various fields. However, their computational studies for property exploration are still at a stage of infancy. So far very few studies have been attempted to study the quantum chemical parameters of nanocomposites. T...

The current work reports the synthesis of mixed ligand‐metal complexes of (2‐(2‐oxoacenaphthylen‐1 ylidene)hydrazinecarbothioamide) (L1) and carbamothioyl‐2‐chloronicotinohydrazonic acid (L2) and imidazole (im), triphenylphosphine (PPh3) and pyridine (py) ligands with Cu (II), Zn (II), Fe (II) and Co (II) salts.The chacterization was done through F...

This paper reports a novel green fabrication of copper ferrite (CuFe2O4) nanoparticles (NPs) from Cissus rotundifolia plant extract. The Fourier transforms infrared spectroscopy (FT-IR) spectrum exhibited intrinsic stretching at the tetrahedral position of Fe–O at 591 cm-1 and the octahedral stretching of Cu–O at 402 cm-1 respectively. The fine dif...

Computational Toxicology for Drug Safety and a Sustainable Environment is a primer on computational techniques in environmental toxicology for scholars. The book presents 9 in-depth chapters authored by expert academicians and scientists aimed to give readers an understanding of how computational models, software and algorithms are being used to pr...

Customary firework burning during different festivals and occasions have been reported from different parts of the world. The pollutants emitted from fireworks exert toxicological effects on human health and the environment. A virtual study was performed to assess the extent of binding of sixteen important components of fireworks including Al2O3 ,...

Computational Toxicology for Drug Safety and a Sustainable Environment is a primer on computational techniques in environmental toxicology for scholars. The book presents 9 in-depth chapters authored by expert academicians and scientists aimed to give readers an understanding of how computational models, software and algorithms are being used to pr...

Nanotechnology has the potential to change the technological landscape of the oil and gas industry. Current research is exploring the use of nanotechnology in different aspects related to the oil and gas industry. This review summarizes the research advances in the field of drilling and processing and, the development/improvement of oil recovery us...

The bioactive molecule (E)-4-((2-(phenylcarbamothioyl) hydrazineylidene) methyl) benzoic acid (ligand), is synthesized and analysed spectroscopically (HRMS, FT-IR, 1H-13C NMR, UV–Vis) and quantum chemically by density functional theory approach (DFT). When compared to the experimental spectra, the computational results for IR, NMR (1H and 13C), and...

Many transition metal complexes have been explored for their therapeutic properties after the discovery of cisplatin. Schiff bases have an efficient complexation tendency with the transition metals and several medicinal properties have been reported. However, fewer studies have reported the medicinal utility of vanadium and its Schiff base complexe...

This experimentation focuses on an inner transition metal oxide-based nanostructure LaFeO3 which was fabricated by a hydrothermal route for photocatalytic degradation of dye under visible light irradiation. The fabricated nanostructure was characterized by various techniques, including X-ray diffraction (XRD), which depicts the crystalline nature a...

Abstract: SARS-CoV-2 (COVID-19) has caused serious mortal damage to the human race. The virus causes respiratory infections, and many studies are trying to comprehend the mode of spread and infection. This chapter has explained the origin of the virus, its structure and activity domain, symptoms, medicinal interventions, and particularly various mo...

Abstract: SARS-CoV-2 virus, leading to the COVID-19 pandemic, was first recognized in 2019. The impact of the crisis is never gender-neutral, and COVID-19 is no exception. While everyone is facing unprecedented challenges, women bear the brunt of the economic and social fallout of COVID-19. Hygiene and nutritional aspects are important parameters f...

COVID-19 has spread like wildfire across the globe since the start of the SARS-CoV-2 outbreak, hampering the quality of life at multiple levels and causing many deaths. Many aspects of the human experience have been affected, with a body of research being published on its effects on psychological and physical well-being, loss of jobs, pay cuts, edu...

Abstract: The novel beta-coronavirus SARS-CoV-2 (COVID-19) emerged in 2019 in Wuhan from bats and later caused inter-human transmission. India is one of the worst-hit countries, where two million casualties occurred during the second wave of the pandemic. The year 2021 witnessed the more deadly form of the virus. At the same time, there was remarka...

COVID-19 has spread like wildfire across the globe since the start of the SARS-CoV-2 outbreak, hampering the quality of life at multiple levels and causing many deaths. Many aspects of the human experience have been affected, with a body of research being published on its effects on psychological and physical well-being, loss of jobs, pay cuts, edu...

COVID-19 is a global pandemic resulting in devastating impacts that spread through a virus and are even more contagious than influenza, as evident from the frequent reporting of cluster outbreaks. Although the key problem is that the symptoms are often similar to other common illnesses, such outbreaks can be controlled if individuals with initial s...

The increasing population and increased intensity of crop production led to the invention of pesticides, among which organophosphates are extensively commercialized and used as commercial pesticides. Their toxicity leads to millions of deaths every year. The insecticide enters the food web and inhibits acetylcholinesterase enzyme production, which...

The drug discovery and development (DDD) process in pursuit of novel drug candidates is a challenging procedure requiring lots of time and resources. Therefore, computer-aided drug design (CADD) methodologies are used extensively to promote proficiency in drug development in a systematic and time-effective manner. The point in reference is SARS-CoV...

The use of metal complexes has significantly advanced in the treatment of a variety of diseases. The complexes of iron, copper, cobalt, gold, titanium, ruthenium, gallium or platinum atoms have shown various medicinal activities such as anticancer, antimicrobial, antibacterial, antioxidant, antifungal and antiviral etc. However, many existing metal...

The variation in ambient air pollution hampers indoor air quality (IAQ), and even the short-term variation is very hazardous for the exposed population. Technological interventions including sensors, smartphones and other gadgets are implemented to build smart environments. However, these interventions are still not fully explored in developing cou...

The objective of this article is to study the impact of COVID-19 on the lives of women by exploring different aspects like their daily work patterns, hygiene practices, psychological effects and nutritional status during the pandemic. 510 women participated in the online survey. The majority of the respondents belonged to the age group of 20–29 yea...

This chapter aims to unveil a novel interdisciplinary emerging field of science, namely “Myconanotechnology” an interface between mycology and nanotechnology, which exploits the use of widely diverse fungal kingdom as a means towards the biogenic synthesis of metal and metal oxide nanoparticles (NPs). The field is becoming increasingly important fo...

The field of nanotechnology has attained significant attention over the years because of the diverse applications associated with the field in sectors including medicine, agriculture, environmental remediation and so on. Conventional synthetic procedures are associated with environmental hazards, and therefore focus has been shifted to evolving syn...

Nanotechnology comprises the wide-ranging application in food industries, such as packaging, and processing of food materials at the nanometer scale. The exploration of nanostructured materials in food industries are continue for processing and packaging purposes. Existing finding methods for food processing and packaging are expensive and time-tak...

Background: Microbial diseases, specifically originating from viruses are the major cause of human mortality all over the world. The current COVID-19 pandemic is a case in point, where the dynamics of the viral-human interactions are still not completely understood, making its treatment a case of trial and error. Scientists are struggling to devise...

Customary firework burning during Diwali in India, Chinese Spring Festival, Independence Day in the USA, Lantern festival in Taiwan, and Guy Fawkes in the UK is reported. Firework burning causes short-term variations in air quality and the release of several hazardous chemicals into the air. Short-term exposure to particulate matter, gaseous pollut...

Abstract: Nanotechnology finds applications in the packaging and processing materials at the nanometer scale. It can produce novel materials, devices, and systems based on manipulating matter at the nanoscale. Nanostructured materials are now being explored in the food sector for processing and packaging. There is a necessity in the food industry t...

Abstract: Metal oxide-based nanostructures are significant nanomaterials that have numerous applications in science and technology. This paper focuses on the green synthesis of metal oxide fabrication techniques and applications of metal oxide-based nanomaterials as therapeutic and environmental remediation agents. Metal oxide-based nanostructures...

Nanomaterials have been explored for their exceptional mechanical, thermal, optical, and antimicrobial properties because of their fine particle size, high surface area, and high reactivity. Nanostructured materials are now being explored in the food sector. There is a need in the food industry for innovative ways to ensure food safety and quality...

Drug intake, its absorption in the body, removal and various side effects associated with it are factors considered while designing the drugs. Here, the in-silico tools act as virtual shortcuts assisting in the prediction of several important physicochemical properties like molecular weight, polar surface area (PSA), molecular flexibility etc. to e...

Thiosemicarbazone complexes possess structural diversity and variable bonding patterns and potential biological implications and ion sensing abilities. The ability of the transition metals to acquire different geometries like octahedral, square planar and tetrahedral in different coordination environments has encouraged researchers to explore the c...

In this review article, the implementations of nanomaterials such as metal oxides and their composites, carbon nanotubes, dendrimers, and polymer nanocomposites for wastewater decontamination have been discussed. The nanomaterials have a lot of potentials, due to their high pollutant sensing ability and larger surface area. They are ideal for the r...

including the pre and post-Diwali days. The concentrations of PM 10 , PM 2.5 , SO 2 , NO 2 , CO, O 3 , ben-zene and toluene, were monitored from the Central Pollution Control Board site on an hourly basis. The Air Quality Index was also recorded for PM 10 , PM 2.5 , SO 2 and NO 2. A questionnaire survey was done with 51 doctors to know the reported...

The present study was conducted in Lucknow city to assess the impact of firecracker burning during Diwali, from 2 November 2021-6 November 2021 including the pre and post-Diwali days. The concentrations of PM10, PM2.5, SO2, NO2, CO, O3, benzene and toluene, were monitored from the Central Pollution Control Board site on an hourly basis. The Air Qua...

The second wave of the SARS-CoV-2 (COVID-19) infection has hit India with full force and affected the whole country. Uttar Pradesh stands in the second position with a high viral load. Air pollution has emerged as a potent factor related to the transmission of the virus helping in the facilitated spread of the virus. Although the focus lies on ambi...

The mutations of bacteria and viruses along with the resistance of various targets to the existing drugs have emerged as great challenges in the medical field. This imposes the need for novel drugs and medicines to resolve such threats. Metal complexes with thiosemicarbazone (TSC) and their derivatives have been reported to show good medicinal valu...

Indoor air quality (IAQ) is among the topmost environmental hazards associated with the health of human beings. The concentrations of indoor pollutants could be several times more than outdoors. Increasing environmental pollution and global warming are also responsible for climate change. Variations in climatic conditions also add to the worsening...

Air pollution is one of the biggest contributors to the global burden of disease and mortality and contributes to over a million deaths worldwide every year. Short- and long-term exposures to air pollutants, when they are present in high concentration, lead to respiratory illnesses, aggravation of cardiovascular diseases, and premature deaths. The...

COVID-19 being a respiratory trouble is adversely influenced by increasing air pollution. People with pre-existing medical conditions, particularly respiratory illness, are prone to the COVID-19 virus. Ambient air pollution weakens the immune system and also facilitates the spread of the virus as it gets adsorbed on the particulate matter. Diwali f...

Thiosemicarbazone ligands are important Schiff bases and their utility has been studied since a long time. This paper presents the evaluation of molecular structure and properties of 2-(4-oxopentan-2-ylidene) hydrazinecarbothioamide (acetylacetone thiosemicarbazone) ligand using the density functional theory (DFT) calculations. B3LYP data set was u...

The coronavirus disease 2019 (COVID-19) pandemic, caused by the new coronavirus SARS-CoV-2, struck India on January 30, 2020, in Kerala, with the first positive case, forcing a 4-month nation-wide lockdown from March 25 to May 31, 2020, followed by a period of unlocking. Unfortunately, in the month of March 2021, India was hit by a major second wav...

Particulate pollution poses a great threat to the health quality of humans and has been found to have caused many respiratory problems and may also influence diabetes mellitus. This study is aimed to establish a connection between the mortality statistics and the PM2.5 concentration and discuss the variation trend during the first and the second wa...

Globally people devote approximately 90% of their time indoors either in their house or office or institution, etc. Together with the dispersion of outdoor air pollutants, toxins are produced in indoor atmosphere owing to various actions such as heating, cooking, cooling and emissions from building materials. Hence, the indoor air quality (IAQ) inf...

Green solvents can be used to replace traditional solvents, which can be a long-term solution for minimizing environmental depletion. Citing “The Twelve Principles of Green Chemistry” as a main basis, this paper examines conventional solvents, their sources, and the associated environmental and health risks. Green solvents, their various varieties,...

As a part of our continued effort to isolate and identify the pharmacological properties of polyphenols from Malus Sikkimensis, here in this work we have evaluated the neuroprotective effect these polyphenols along with their antioxidant and antiplasmodial properties. The antioxidant potential of these bioactives was estimated using enzymatic and n...

Thiosemicarbazones are Schiff based ligands which have gained importance over the decades as potential drug candidates. When coordinated to metals, they have proved as good anticancer, antimicrobial, antioxidant and antiprotozoal agents. Numerous applications of these ligands in the field of Analytical Chemistry have also been reported. The present...

The impact of the crisis is never gender-neutral and COVID-19 is no exception. While everyone is facing unprecedented challenges, women are bearing the brunt of economic and social fallout of COVID-19. Mental health, hygiene and nutritional aspects are very important for the assessment of the well-being of a person. This paper has shed light on the...

The present study was conducted to assess the indoor air quality of urban Lucknow homes. WHO has declared Lucknow as tenth most polluted city of the world.The study was done from May 13-June 14covering all the three major seasons of northern India i.e. summer, rainy and winter by simultaneous measurement of the concentrations of SO 2 , NO 2 , CO, C...

Conference Proceedings of International Conference on "Applied Chemistry: Exploring futuristic Applications for Sustainable Development", organized by Internal Quality Assurance Cell and Department of Chemistry, Isabella Thoburn College from 26th-28th October 2021.

Schiff based ligands and their complexes have emerged as potential drug candidates. Owing to their excellent chelating tendency, they easily coordinate with transition metals which have vacant orbitals. Transition metal complexes have several advantages because of their better acceptability and low toxicity in biological systems. These metals also...

Antibiotics have been used as antimicrobial agents to fight a variety of infectious diseases, for the past more than 100 years. Apart from this, they are also extensively used in animal farming, agriculture and aquaculture, all over the world. However, this frequent and large-scale overuse and incorrect use leads to the excessive dispersal of antib...

BACKGROUND: COVID-19 pandemic led to the closure of non-essential services including educational institutions and recreational facilities all around the world. The pandemic has affected children at different levels including their mental well- being. AIM: The objective of this study was to assess the overall impact of the pandemic on the well-being...

In the most basic sense, drug design involves designing molecules that are complementary in shape and charge to the biomolecular target with which they interact, and therefore will bind to it. The therapeutic potential of an organic molecule-based chemotherapeutic candidate is influenced by the basic functional groups, where the stereo-arrangement...

In the most basic sense, drug design involves the design of molecules that are complementary in shape and charge to the biomolecular target with which they interact and therefore will bind to it. The therapeutic potential of organic molecule based chemotherapeutic candidate has been influenced by basic functional groups, where the stereo-arrangemen...

The novel coronavirus Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) or COVID-19 has caused a worldwide pandemic. The fatal virus has affected the health of human beings as well as the socio-economic situation all over the world. To date, no concrete medicinal solution has been proposed to combat the viral infection, calling for an ur...

SARS-CoV-2, also known as COVID-19 has taken over the world. The deadly virus causes serious respiratory infections in humans. A number of researches are ongoing to contain the spread of the virus. The aim of this review is to assess the impact of air pollution and environmental factors which may influence the transmission of the disease. This stud...

North Indian cities have been highly polluted, especially in winters, which coincide with the Diwali festival. This year, the government imposed ban on the burning of firecrackers. This study was undertaken from 4th-21st November, 2020 to monitor the air quality variation with respect to PM10 and PM2.5 for Delhi, Lucknow, Ghaziabad, Muzaffarnagar,...

Chemistry is all around the universe. Green chemistry underpins the enormous social and technological changes in the future. Beginning from eco-friendly chemical synthesis to green catalyst via green chemical reactions, it finds a good correlation with the environment, taking biosynthesis and biomimetic principles into consideration. Widespread int...

The current epidemic of Severe Acute Respiratory Syndrome coronavirus (SARS-CoV-2) has led to a major health crisis in 2020. SARS-CoV-2 has spike protein, polyproteins, nucleoproteins, and membrane proteins with RNA polymerase, 3-chymotrypsin-like protease, papain-like protease, helicase, glycoprotein, and accessory proteins. These are probable tar...

The molecular structure of (E)-2-(butan-2-ylidene)hydrazinecarbothiomide (2-butanone thiosemicarbazone) was validated by density functional theory (DFT) calculations. The characterization of the ligand was done using various spectroscopic techniques. Four transition metal complexes were prepared with the ligand and their antioxidant activity was te...

Introduction With the outbreak of the SARS-CoV-2 in Wuhan, China during December, 2019, presently over 200 countries have been facing gruesome health effects of the deadly virus with cases and casualties on the rise. So far no concrete medicinal drug or vaccine has been developed to check the lethal viral infection, henceforth authorities have emph...

A new and efficient green grinding-based catalyst free Knoevenagel condensation of aldehydes/ketones and malononitrile for the rapid preparation of twelve malononitrile derivatives (C1-C12) is proposed. Characterization of the derivatives was done by ¹H NMR, ¹³C NMR, IR, elemental and mass spectral analyses. Quantum chemical calculations were perfo...

The recent outbreak of Severe acute respiratory syndrome (SARS) coronavirus (SARS-CoV-2) has led to the biggest health concerns in 2020. COVID-19 possesses spike protein, polyproteins, nucleoproteins, and membrane proteins including RNA polymerase, 3-chymotrypsin-like protease, papain-like protease, helicase, glycoprotein and accessory proteins. Re...

Background: Phenanthridines are an essential class of nitrogenous heterocycles with extensive applications in medicinal chemistry. Objectives: The development of efficient and eco-friendly method for the preparation of chirally pure dihydropyrrolo[1,2-f]phenanthridines (5a-h), their in vitro evaluation and modeling studies as potential anticancer,...

To assess the indoor air quality of urban and rural houses of Lucknow region, the present study was conducted from November 2014 to October 2015. Concentrations of SO2, NO2, CO2, CO, NH3, H2S, PM10 and PM2.5 were measured in five urban and five rural houses. House selection was done after a questionnaire survey in two medical colleges. The average...

The article has been withdrawn at the request of the authors of the journal Combinatorial Chemistry & High Throughput Screening. Bentham Science apologizes to the readers of the journal for any inconvenience this may have caused. The Bentham Editorial Policy on Article Withdrawal can be found at https://benthamscience.com/editorial-policies-main.ph...

The present chapter is an attempt to summarize the importance of indoor air quality, which can be considered as IAQ and to emphasize on the hazardous effects of particulate matter (PM) consisting of fine and ultrafine particles. Indoor air pollution is a leading cause of poor health outcome in India. Nano particles in indoor air have been linked to...

Quantum computational investigations and in silico biological evaluation of substituted aminofuran derivatives are described in this study. The synthesized compounds were characterized by 1 H NMR, 13 C NMR, FTIR, UV-Vis and ESI-MS spectroscopic techniques. Experimental observations were compared with the theoretical data generated by quantum chemic...

Nature is a rich source of natural drug-like compounds with almost zero side effects. Phytochemicals better known as “Natural Products” are found abundantly in a number of plants. Since time immemorial, spices have been widely used in Indian cuisine as flavoring and colouring agents. Most of these spices and condiments are derived from various biod...

Background Mixed ligand-metal complexes are efficient chelating agents because of flexible donor ability. Mixed ligand complexes containing hetero atoms sulphur, nitrogen and oxygen have been probed for their biological significance. Objective Nine mixed ligand-metal complexes of 2-(butan-2-ylidene) hydrazinecarbothioamide (2-butanone thiosemicarb...

Acknowledgements-The authors are grateful to all the faculty members of Department of chemistry, Integral University for their cooperation and support. They are also thankful to the R & D cell of the institution for editing the manuscript and for providing the manuscript communication number (IU/R&D/2019-MCN000603).

Background: Computational or in silico studies are undertaken to assess the drug like properties of lead compounds. These studies help in fast prediction of relevant properties. Objective: Through this review an effort is made to encapsulate some of the important parameters which should be met by a compound for it to be considered as a potential...

Handling flexibility in molecular docking is a major challenge in chemical biology research. It has been observed that in most of the cases incorrect binding energies and poses are predicted by the docking algorithms. Neglecting receptor flexibility results in incorrect ligand binding scores. Conformational rearrangements of the receptor binding po...

Novel anti-hepatic carcinoma drugs are of great therapeutic significance in the treatment of different types of hepatic cancers. Since last decade, there has been a progressive improvement in computational drug designing strategies. Human topoisomerase-II (Topo-II) and human platelet derived growth factor receptor-α (PDGFR-α) have been identified a...

The present paper deals with in silico evaluation of 32 virtually designed transition metal complexes of 2-butanone thiosemicarbazone and N,S,O containing donor hetero-ligands namely py, bpy, furan, thiophene, 2-picoline, 1,10-phenanthroline, piperazine and liquid ammonia. The complexes were designed with a view to assess their potential anticancer...

Mixed-ligand metal (II) (M=Cu, Fe, Co and Zn) complexes containing 2-butanone thiosemicarbazone and 1, 10-phenanthroline have been synthesized and characterized by melting point, FT-IR, 1 H-NMR, UV-spectrophotometry and molar conductance measurements. All the complexes were soluble in DMSO and DMF. They were thermally stable with high melting point...

This paper deals with in silico evaluation of newly proposed heterocyclic derivatives in search of potential anticancer activity. Best possible drug candidates have been proposed using a rational approach employing a pipeline of computational techniques namely MetaPrint2D prediction, molinspiration, cheminformatics, Osiris Data warrior, AutoDock an...

Human exposure to indoor air contaminants may be several times higher than outdoor levels because of the majority of their time is spent indoors. People belonging to rural areas in developing countries are usually exposed to high levels of household pollution daily owing to use of biomass for cooking. The situation becomes worsened in winter as the...

2-Butanone thiosemicarbazone ligand was prepared by condensation reaction between thiosemicarbazide and butanone. The ligand was characterized by1H NMR,13C NMR, FT-IR, mass spectrometry and UV spectroscopic studies. Docking studies were performed to study inhibitory action against topoisomerase II (Topo II) and ribonucleoside diphosphate reductase...